9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole

C30H23NO4S — CID 122435274

IUPAC9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1cccc2cccc(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C30H23NO4S/c1-34-21-14-16-26-24(18-21)25-19-22(35-2)15-17-27(25)31(26)28-12-6-8-20-9-7-13-29(30(20)28)36(32,33)23-10-4-3-5-11-23/h3-19H,1-2H3
InChIKeyDIXRRCYQUIPDET-UHFFFAOYSA-N
MW493.58 g/mol
LogP6.79
Rot. Bonds5

About 9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole

9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole (PubChem CID 122435274) has the molecular formula C30H23NO4S and a molecular weight of 493.58 g/mol. Its IUPAC name is 9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole.

Molecular Properties

Compound Name9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole
PubChem CID122435274
Molecular FormulaC30H23NO4S
Molecular Weight493.58 g/mol
Exact Mass493.13
IUPAC Name9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1cccc2cccc(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C30H23NO4S/c1-34-21-14-16-26-24(18-21)25-19-22(35-2)15-17-27(25)31(26)28-12-6-8-20-9-7-13-29(30(20)28)36(32,33)23-10-4-3-5-11-23/h3-19H,1-2H3
InChIKeyDIXRRCYQUIPDET-UHFFFAOYSA-N
XLogP6.79
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.58
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole
CID 122683133
3,6-dimethoxy-9-(2-methylphenyl)carbazole
CID 132915560
9-[4-[(E)-2-[4-[4-(benzenesulfonyl)phenyl]phenyl]ethenyl]phenyl]-3,6-dimethoxycarbazole
CID 130339144
3-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-6-methoxyquinolin-4-one
CID 2136742
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one
CID 18559299
2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328799
3-(benzenesulfonyl)-2-methoxyaniline
CID 59675219
1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 20874609
2-[2,6-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 122432555
2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid
CID 175202361
2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967

Frequently Asked Questions

What is the IUPAC name of 9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole?
The IUPAC name of 9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole (CID 122435274) is 9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole.
What is the SMILES notation for 9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole?
The canonical SMILES for 9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1cccc2cccc(S(=O)(=O)c3ccccc3)c12.
What is the InChIKey of 9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole?
The InChIKey is DIXRRCYQUIPDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO4S/c1-34-21-14-16-26-24(18-21)25-19-22(35-2)15-17-27(25)31(26)28-12-6-8-20-9-7-13-29(30(20)28)36(32,33)23-10-4-3-5-11-23/h3-19H,1-2H3.
What are the key properties of 9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole?
9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole has a molecular weight of 493.58 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(benzenesulfonyl)naphthalen-1-yl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 122435274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).