4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole

C29H26N2O4S2 — CID 12031131

IUPAC4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole
SMILESCc1ccc(S(=O)(=O)N2Cc3c(C)cc4c(c3C2)c2ccccc2n4S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H26N2O4S2/c1-19-8-12-22(13-9-19)36(32,33)30-17-25-21(3)16-28-29(26(25)18-30)24-6-4-5-7-27(24)31(28)37(34,35)23-14-10-20(2)11-15-23/h4-16H,17-18H2,1-3H3
InChIKeyZZAFKEBQEYPCNE-UHFFFAOYSA-N
MW530.67 g/mol
LogP5.66
Rot. Bonds4

About 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole

4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole (PubChem CID 12031131) has the molecular formula C29H26N2O4S2 and a molecular weight of 530.67 g/mol. Its IUPAC name is 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole.

Molecular Properties

Compound Name4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole
PubChem CID12031131
Molecular FormulaC29H26N2O4S2
Molecular Weight530.67 g/mol
Exact Mass530.13
IUPAC Name4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole
SMILESCc1ccc(S(=O)(=O)N2Cc3c(C)cc4c(c3C2)c2ccccc2n4S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H26N2O4S2/c1-19-8-12-22(13-9-19)36(32,33)30-17-25-21(3)16-28-29(26(25)18-30)24-6-4-5-7-27(24)31(28)37(34,35)23-14-10-20(2)11-15-23/h4-16H,17-18H2,1-3H3
InChIKeyZZAFKEBQEYPCNE-UHFFFAOYSA-N
XLogP5.66
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole?
The IUPAC name of 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole (CID 12031131) is 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole.
What is the SMILES notation for 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole?
The canonical SMILES for 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole is Cc1ccc(S(=O)(=O)N2Cc3c(C)cc4c(c3C2)c2ccccc2n4S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole?
The InChIKey is ZZAFKEBQEYPCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4S2/c1-19-8-12-22(13-9-19)36(32,33)30-17-25-21(3)16-28-29(26(25)18-30)24-6-4-5-7-27(24)31(28)37(34,35)23-14-10-20(2)11-15-23/h4-16H,17-18H2,1-3H3.
What are the key properties of 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole?
4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole has a molecular weight of 530.67 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]carbazole is sourced from PubChem (CID 12031131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).