1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone

C32H28N2O2 — CID 2835729

IUPAC1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone
SMILESCC(=O)N1c2ccc(C)cc2C2(c3ccccc3)N(C(C)=O)c3ccc(C)cc3C12c1ccccc1
InChIInChI=1S/C32H28N2O2/c1-21-15-17-29-27(19-21)31(25-11-7-5-8-12-25)32(33(29)23(3)35,26-13-9-6-10-14-26)28-20-22(2)16-18-30(28)34(31)24(4)36/h5-20H,1-4H3
InChIKeyVTVRVLXGDMBGTQ-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.22
Rot. Bonds2

About 1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone

1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone (PubChem CID 2835729) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone
PubChem CID2835729
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Name1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone
SMILESCC(=O)N1c2ccc(C)cc2C2(c3ccccc3)N(C(C)=O)c3ccc(C)cc3C12c1ccccc1
InChIInChI=1S/C32H28N2O2/c1-21-15-17-29-27(19-21)31(25-11-7-5-8-12-25)32(33(29)23(3)35,26-13-9-6-10-14-26)28-20-22(2)16-18-30(28)34(31)24(4)36/h5-20H,1-4H3
InChIKeyVTVRVLXGDMBGTQ-UHFFFAOYSA-N
XLogP6.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone?
The IUPAC name of 1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone (CID 2835729) is 1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone.
What is the SMILES notation for 1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone?
The canonical SMILES for 1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone is CC(=O)N1c2ccc(C)cc2C2(c3ccccc3)N(C(C)=O)c3ccc(C)cc3C12c1ccccc1.
What is the InChIKey of 1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone?
The InChIKey is VTVRVLXGDMBGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O2/c1-21-15-17-29-27(19-21)31(25-11-7-5-8-12-25)32(33(29)23(3)35,26-13-9-6-10-14-26)28-20-22(2)16-18-30(28)34(31)24(4)36/h5-20H,1-4H3.
What are the key properties of 1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone?
1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone has a molecular weight of 472.59 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl)ethanone is sourced from PubChem (CID 2835729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).