9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole

C30H21NO2S — CID 122679743

IUPAC9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C30H21NO2S/c32-34(33,25-8-2-1-3-9-25)26-20-16-23(17-21-26)22-14-18-24(19-15-22)31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31/h1-21H
InChIKeyRZULURPWFOLNKG-UHFFFAOYSA-N
MW459.57 g/mol
LogP7.28
Rot. Bonds4

About 9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole

9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole (PubChem CID 122679743) has the molecular formula C30H21NO2S and a molecular weight of 459.57 g/mol. Its IUPAC name is 9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
PubChem CID122679743
Molecular FormulaC30H21NO2S
Molecular Weight459.57 g/mol
Exact Mass459.13
IUPAC Name9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C30H21NO2S/c32-34(33,25-8-2-1-3-9-25)26-20-16-23(17-21-26)22-14-18-24(19-15-22)31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31/h1-21H
InChIKeyRZULURPWFOLNKG-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-[4-(benzenesulfonyl)phenyl]carbazole
CID 132916142
3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 165401549
9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
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
1-bromo-4-(4-bromophenyl)sulfonylbenzene;9-[4-[4-(4-bromophenyl)sulfonylphenyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid
CID 158167009
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
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
5,12-bis[4-[3,5-bis(benzenesulfonyl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 130353033
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
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide
CID 167284800

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole (CID 122679743) is 9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole is O=S(=O)(c1ccccc1)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole?
The InChIKey is RZULURPWFOLNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO2S/c32-34(33,25-8-2-1-3-9-25)26-20-16-23(17-21-26)22-14-18-24(19-15-22)31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31/h1-21H.
What are the key properties of 9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole?
9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole 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 9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 122679743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).