Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-[ethyl(3-methylbutyl)amino]-

Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-[ethyl(3-methylbutyl)amino]- is a chemical compound registered under number CAS 115392-27-3, with the molecular formula C₃₁H₂₉NO₃, and a molar mass of 463.6 g/mol.

The molecule contains 64 atoms connected by 69 chemical bonds. The full systematic IUPAC name of this compound is 9'-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,12'-benzo[a]xanthene]-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 = 7.6 (positive value, a lipophilic compound), polar surface area PSA = 38.8 Ų, 0 donors and 4 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.

Molecular formula	C31H29NO3
Masa molowa	463.6 g/mol
IUPAC	9'-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
SMILES	CCN(CCC(C)C)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC6=CC=CC=C65
InChIKey	GNBILJBACCNEAZ-UHFFFAOYSA-N
logP (XLogP3)	7.6
PSA	38.8 Ų
HBD / HBA	0 / 4
PubChem CID	CID 10298445 ↗

115392-27-3 · Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-[ethyl(3-methylbutyl)amino]- · 9-(Ethyl(3-methylbutyl)amino)spiro(12H-benzo(a)xanthene-12,1'(3'H)isobenzofuran)-3'-one · Spiro(12H-benzo(a)xanthene-12,1'(3'H)-isobenzofuran)-3'-one, 9-(ethyl(3-methylbutyl)amino)- · Spiro(12H-benzo(a)xanthene-12,11(3'H)-isobenzofuran)-3'-one, 9-(ethyl(3-methylbutyl)amino)- · RefChem:888572 · DTXCID401028150 · 601-358-6 · 9-(Ethyl(isopentyl)amino)-3'H-spiro[benzo[a]xanthene-12,1'-isobenzofuran]-3'-one · RED 500 · 9'-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one · C31H29NO3 · GNBILJBACCNEAZ-UHFFFAOYSA-N · SCHEMBL3015765 · SCHEMBL29430024

• 📊 PubChem CID 10298445 — NIH
• 🔬 NIST WebBook — spektroskopia
• 💊 ChEMBL — bioaktywność