1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole

C37H29NO2S — CID 122201833

IUPAC1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole
SMILESCc1ccc(S(=O)(=O)N2c3c(c(-c4ccccc4)c(-c4ccccc4)c4ccccc34)CC2c2ccccc2)cc1
InChIInChI=1S/C37H29NO2S/c1-26-21-23-30(24-22-26)41(39,40)38-34(27-13-5-2-6-14-27)25-33-36(29-17-9-4-10-18-29)35(28-15-7-3-8-16-28)31-19-11-12-20-32(31)37(33)38/h2-24,34H,25H2,1H3
InChIKeyFCMAPGQTRNIEPJ-UHFFFAOYSA-N
MW551.71 g/mol
LogP8.97
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole

1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole (PubChem CID 122201833) has the molecular formula C37H29NO2S and a molecular weight of 551.71 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole
PubChem CID122201833
Molecular FormulaC37H29NO2S
Molecular Weight551.71 g/mol
Exact Mass551.19
IUPAC Name1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole
SMILESCc1ccc(S(=O)(=O)N2c3c(c(-c4ccccc4)c(-c4ccccc4)c4ccccc34)CC2c2ccccc2)cc1
InChIInChI=1S/C37H29NO2S/c1-26-21-23-30(24-22-26)41(39,40)38-34(27-13-5-2-6-14-27)25-33-36(29-17-9-4-10-18-29)35(28-15-7-3-8-16-28)31-19-11-12-20-32(31)37(33)38/h2-24,34H,25H2,1H3
InChIKeyFCMAPGQTRNIEPJ-UHFFFAOYSA-N
XLogP8.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.71
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole (CID 122201833) is 1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole is Cc1ccc(S(=O)(=O)N2c3c(c(-c4ccccc4)c(-c4ccccc4)c4ccccc34)CC2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole?
The InChIKey is FCMAPGQTRNIEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29NO2S/c1-26-21-23-30(24-22-26)41(39,40)38-34(27-13-5-2-6-14-27)25-33-36(29-17-9-4-10-18-29)35(28-15-7-3-8-16-28)31-19-11-12-20-32(31)37(33)38/h2-24,34H,25H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole?
1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole has a molecular weight of 551.71 g/mol, XLogP of 8.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2,4,5-triphenyl-2,3-dihydrobenzo[g]indole is sourced from PubChem (CID 122201833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).