6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole

C33H29NO2S — CID 122201832

IUPAC6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(-c4ccccc4)c(-c4ccccc4)c4c(C)cc(C)cc4c32)cc1
InChIInChI=1S/C33H29NO2S/c1-22-14-16-27(17-15-22)37(35,36)34-19-18-28-31(25-10-6-4-7-11-25)32(26-12-8-5-9-13-26)30-24(3)20-23(2)21-29(30)33(28)34/h4-17,20-21H,18-19H2,1-3H3
InChIKeyHJAAZTQVXIZZPL-UHFFFAOYSA-N
MW503.67 g/mol
LogP7.85
Rot. Bonds4

About 6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole

6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole (PubChem CID 122201832) has the molecular formula C33H29NO2S and a molecular weight of 503.67 g/mol. Its IUPAC name is 6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole.

Molecular Properties

Compound Name6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole
PubChem CID122201832
Molecular FormulaC33H29NO2S
Molecular Weight503.67 g/mol
Exact Mass503.19
IUPAC Name6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole
SMILESCc1ccc(S(=O)(=O)N2CCc3c(-c4ccccc4)c(-c4ccccc4)c4c(C)cc(C)cc4c32)cc1
InChIInChI=1S/C33H29NO2S/c1-22-14-16-27(17-15-22)37(35,36)34-19-18-28-31(25-10-6-4-7-11-25)32(26-12-8-5-9-13-26)30-24(3)20-23(2)21-29(30)33(28)34/h4-17,20-21H,18-19H2,1-3H3
InChIKeyHJAAZTQVXIZZPL-UHFFFAOYSA-N
XLogP7.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.67
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole 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 6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole?
The IUPAC name of 6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole (CID 122201832) is 6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole.
What is the SMILES notation for 6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole?
The canonical SMILES for 6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole is Cc1ccc(S(=O)(=O)N2CCc3c(-c4ccccc4)c(-c4ccccc4)c4c(C)cc(C)cc4c32)cc1.
What is the InChIKey of 6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole?
The InChIKey is HJAAZTQVXIZZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29NO2S/c1-22-14-16-27(17-15-22)37(35,36)34-19-18-28-31(25-10-6-4-7-11-25)32(26-12-8-5-9-13-26)30-24(3)20-23(2)21-29(30)33(28)34/h4-17,20-21H,18-19H2,1-3H3.
What are the key properties of 6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole?
6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole has a molecular weight of 503.67 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydrobenzo[g]indole is sourced from PubChem (CID 122201832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).