9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole

C38H29NO4S — CID 122683133

IUPAC9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2ccccc2-c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C38H29NO4S/c1-42-29-18-22-37-35(24-29)36-25-30(43-2)19-23-38(36)39(37)28-16-12-26(13-17-28)33-10-6-7-11-34(33)27-14-20-32(21-15-27)44(40,41)31-8-4-3-5-9-31/h3-25H,1-2H3
InChIKeyXCNVPBHAVMZALY-UHFFFAOYSA-N
MW595.72 g/mol
LogP8.97
Rot. Bonds7

About 9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole

9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole (PubChem CID 122683133) has the molecular formula C38H29NO4S and a molecular weight of 595.72 g/mol. Its IUPAC name is 9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole.

Molecular Properties

Compound Name9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole
PubChem CID122683133
Molecular FormulaC38H29NO4S
Molecular Weight595.72 g/mol
Exact Mass595.18
IUPAC Name9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2ccccc2-c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C38H29NO4S/c1-42-29-18-22-37-35(24-29)36-25-30(43-2)19-23-38(36)39(37)28-16-12-26(13-17-28)33-10-6-7-11-34(33)27-14-20-32(21-15-27)44(40,41)31-8-4-3-5-9-31/h3-25H,1-2H3
InChIKeyXCNVPBHAVMZALY-UHFFFAOYSA-N
XLogP8.97
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.72
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[(E)-2-[4-[4-(benzenesulfonyl)phenyl]phenyl]ethenyl]phenyl]-3,6-dimethoxycarbazole
CID 130339144
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
CID 146530442
9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
CID 122679743
3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 165401549
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;9-[4-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]sulfonylphenyl]-3,6-dimethoxycarbazole;3-phenyl-9-[4-[4-(3-phenylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole
CID 158938394
3,6-bis[2-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 174707909
9-[4-(benzenesulfonyl)phenyl]carbazole
CID 132916142
9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
4-(4-methoxyphenyl)-1-phenylquinolin-2-one
CID 166443023
CID 167347929
CID 167347929
9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole
CID 122435274
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole?
The IUPAC name of 9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole (CID 122683133) is 9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole.
What is the SMILES notation for 9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole?
The canonical SMILES for 9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2ccccc2-c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole?
The InChIKey is XCNVPBHAVMZALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29NO4S/c1-42-29-18-22-37-35(24-29)36-25-30(43-2)19-23-38(36)39(37)28-16-12-26(13-17-28)33-10-6-7-11-34(33)27-14-20-32(21-15-27)44(40,41)31-8-4-3-5-9-31/h3-25H,1-2H3.
What are the key properties of 9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole?
9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole has a molecular weight of 595.72 g/mol, XLogP of 8.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 122683133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).