3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole

C43H29N3O2S — CID 24814812

IUPAC3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1
InChIInChI=1S/C43H29N3O2S/c1-28-18-22-31(23-19-28)49(47,48)46-42-17-9-5-13-35(42)37-27-30(21-25-43(37)46)45-40-16-8-4-12-34(40)36-26-29(20-24-41(36)45)44-38-14-6-2-10-32(38)33-11-3-7-15-39(33)44/h2-27H,1H3
InChIKeyDUDAMPJQLSTQHY-UHFFFAOYSA-N
MW651.79 g/mol
LogP10.53
Rot. Bonds4

About 3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole

3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole (PubChem CID 24814812) has the molecular formula C43H29N3O2S and a molecular weight of 651.79 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole
PubChem CID24814812
Molecular FormulaC43H29N3O2S
Molecular Weight651.79 g/mol
Exact Mass651.20
IUPAC Name3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1
InChIInChI=1S/C43H29N3O2S/c1-28-18-22-31(23-19-28)49(47,48)46-42-17-9-5-13-35(42)37-27-30(21-25-43(37)46)45-40-16-8-4-12-34(40)36-26-29(20-24-41(36)45)44-38-14-6-2-10-32(38)33-11-3-7-15-39(33)44/h2-27H,1H3
InChIKeyDUDAMPJQLSTQHY-UHFFFAOYSA-N
XLogP10.53
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.79
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole (CID 24814812) is 3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole is Cc1ccc(S(=O)(=O)n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole?
The InChIKey is DUDAMPJQLSTQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O2S/c1-28-18-22-31(23-19-28)49(47,48)46-42-17-9-5-13-35(42)37-27-30(21-25-43(37)46)45-40-16-8-4-12-34(40)36-26-29(20-24-41(36)45)44-38-14-6-2-10-32(38)33-11-3-7-15-39(33)44/h2-27H,1H3.
What are the key properties of 3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole?
3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole has a molecular weight of 651.79 g/mol, XLogP of 10.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole is sourced from PubChem (CID 24814812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).