3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole

C42H29NO4S2 — CID 174707909

IUPAC3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole
SMILESO=S(=O)(c1ccccc1)c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3S(=O)(=O)c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C42H29NO4S2/c44-48(45,33-16-6-2-7-17-33)41-22-12-10-20-35(41)30-24-26-39-37(28-30)38-29-31(25-27-40(38)43(39)32-14-4-1-5-15-32)36-21-11-13-23-42(36)49(46,47)34-18-8-3-9-19-34/h1-29H
InChIKeySBVYWWJVGCEDBT-UHFFFAOYSA-N
MW675.83 g/mol
LogP9.78
Rot. Bonds7

About 3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole

3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole (PubChem CID 174707909) has the molecular formula C42H29NO4S2 and a molecular weight of 675.83 g/mol. Its IUPAC name is 3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole
PubChem CID174707909
Molecular FormulaC42H29NO4S2
Molecular Weight675.83 g/mol
Exact Mass675.15
IUPAC Name3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole
SMILESO=S(=O)(c1ccccc1)c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3S(=O)(=O)c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C42H29NO4S2/c44-48(45,33-16-6-2-7-17-33)41-22-12-10-20-35(41)30-24-26-39-37(28-30)38-29-31(25-27-40(38)43(39)32-14-4-1-5-15-32)36-21-11-13-23-42(36)49(46,47)34-18-8-3-9-19-34/h1-29H
InChIKeySBVYWWJVGCEDBT-UHFFFAOYSA-N
XLogP9.78
TPSA73.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.83
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 165401549
9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole
CID 122683133
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 176837359
3-(2-tert-butylphenyl)-9-phenylcarbazole
CID 165169210
3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole
CID 134237363
9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
CID 122679743
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole (CID 174707909) is 3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole is O=S(=O)(c1ccccc1)c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3S(=O)(=O)c3ccccc3)ccc1n2-c1ccccc1.
What is the InChIKey of 3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole?
The InChIKey is SBVYWWJVGCEDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO4S2/c44-48(45,33-16-6-2-7-17-33)41-22-12-10-20-35(41)30-24-26-39-37(28-30)38-29-31(25-27-40(38)43(39)32-14-4-1-5-15-32)36-21-11-13-23-42(36)49(46,47)34-18-8-3-9-19-34/h1-29H.
What are the key properties of 3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole?
3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole has a molecular weight of 675.83 g/mol, XLogP of 9.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 174707909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).