3-(4-(Diethylamino)-2-methylphenyl)-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone

CAS 36499-49-7  ·  C29H30N2O2  ·  MW 438.6 g/mol

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3D model 3-(4-(Diethylamino)-2-methylphenyl)-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone, CAS 36499-49-7, molecular formula C29H30N2O2, molar mass 438.6 g/mol
About 3-(4-(Diethylamino)-2-methylphenyl)-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone

3-(4-(Diethylamino)-2-methylphenyl)-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone is a chemical compound registered under number CAS 36499-49-7, with the molecular formula C29H30N2O2, and a molar mass of 438.6 g/mol.

The molecule contains 63 atoms connected by 67 chemical bonds. The full systematic IUPAC name of this compound is 3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethylindol-3-yl)-2-benzofuran-1-one. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 6.2 (positive value, a lipophilic compound), polar surface area PSA = 34.5 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC29H30N2O2
Masa molowa438.6 g/mol
IUPAC3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethylindol-3-yl)-2-benzofuran-1-one
SMILESCCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)C)C)C
InChIKeyLCGJEUAHECYSFW-UHFFFAOYSA-N
logP (XLogP3)6.2
PSA34.5 Ų
HBD / HBA0 / 3
PubChem CIDCID 22174174 ↗
Scientific literature

Related literature

15 articles · 8 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (15 articles)

2002: 1 articles20022004: 1 articles2009: 1 articles2011: 1 articles2012: 2 articles2016: 1 articles20162018: 1 articles2019: 1 articles2021: 1 articles2023: 2 articles2026: 1 articles2026

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
36499-49-7 · RefChem:1066767 · 3-(4-(Diethylamino)-2-methylphenyl)-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone · 3-(4-(Diethylamino)-2-methylphenyl)-3-(1,2-dimethyl-1H-indol-3-yl)isobenzofuran-1(3H)-one · 3-(1,2-Dimethyl-3-indolyl)-3-[4-(diethylamino)-2-methylphenyl]phthalide · MFCD08276348 · 3-[4-(Diethylamino)-2-methylphenyl]-3- (1,2-dimethyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone · 3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethylindol-3-yl)-2-benzofuran-1-one · SCHEMBL1370527 · 3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-1,3-dihydro-2-benzofuran-1-one · AKOS015850817 · SY054491 · CS-0152034 · 3-[4-(Diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)isobenzofuran-1(3H)-one · 1(3h)-isobenzofuranone,3
Data sources
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