3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole

C30H21NO2S — CID 165401549

IUPAC3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C30H21NO2S/c32-34(33,25-11-5-2-6-12-25)26-18-15-22(16-19-26)23-17-20-30-28(21-23)27-13-7-8-14-29(27)31(30)24-9-3-1-4-10-24/h1-21H
InChIKeyKCCAWMNFKKJPAK-UHFFFAOYSA-N
MW459.57 g/mol
LogP7.28
Rot. Bonds4

About 3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole

3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole (PubChem CID 165401549) has the molecular formula C30H21NO2S and a molecular weight of 459.57 g/mol. Its IUPAC name is 3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
PubChem CID165401549
Molecular FormulaC30H21NO2S
Molecular Weight459.57 g/mol
Exact Mass459.13
IUPAC Name3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C30H21NO2S/c32-34(33,25-11-5-2-6-12-25)26-18-15-22(16-19-26)23-17-20-30-28(21-23)27-13-7-8-14-29(27)31(30)24-9-3-1-4-10-24/h1-21H
InChIKeyKCCAWMNFKKJPAK-UHFFFAOYSA-N
XLogP7.28
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
CID 122679743
9-[9-[4-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3-(3-methylcarbazol-9-yl)-6-phenylcarbazole
CID 121444321
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole
CID 161262026
3,6-ditert-butyl-9-[9-[4-[4-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazole;9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 159940883
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole (CID 165401549) is 3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole is O=S(=O)(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole?
The InChIKey is KCCAWMNFKKJPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO2S/c32-34(33,25-11-5-2-6-12-25)26-18-15-22(16-19-26)23-17-20-30-28(21-23)27-13-7-8-14-29(27)31(30)24-9-3-1-4-10-24/h1-21H.
What are the key properties of 3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole?
3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole has a molecular weight of 459.57 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 165401549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).