1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole

C36H25NO4S2 — CID 174714913

IUPAC1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole
SMILESO=S(=O)(c1ccccc1)c1ccccc1-c1ccc2c([nH]c3ccccc32)c1-c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C36H25NO4S2/c38-42(39,25-13-3-1-4-14-25)33-21-11-8-18-28(33)29-23-24-30-27-17-7-10-20-32(27)37-36(30)35(29)31-19-9-12-22-34(31)43(40,41)26-15-5-2-6-16-26/h1-24,37H
InChIKeyHDVQMBBQTQQPJM-UHFFFAOYSA-N
MW599.73 g/mol
LogP8.32
Rot. Bonds6

About 1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole

1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole (PubChem CID 174714913) has the molecular formula C36H25NO4S2 and a molecular weight of 599.73 g/mol. Its IUPAC name is 1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole
PubChem CID174714913
Molecular FormulaC36H25NO4S2
Molecular Weight599.73 g/mol
Exact Mass599.12
IUPAC Name1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole
SMILESO=S(=O)(c1ccccc1)c1ccccc1-c1ccc2c([nH]c3ccccc32)c1-c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C36H25NO4S2/c38-42(39,25-13-3-1-4-14-25)33-21-11-8-18-28(33)29-23-24-30-27-17-7-10-20-32(27)37-36(30)35(29)31-19-9-12-22-34(31)43(40,41)26-15-5-2-6-16-26/h1-24,37H
InChIKeyHDVQMBBQTQQPJM-UHFFFAOYSA-N
XLogP8.32
TPSA84.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.73
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole
CID 166134111
2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline
CID 175875645
2-phenyl-9H-carbazol-1-ol
CID 118682381
9H-carbazole-1-sulfonamide
CID 18617392
1,2-bis(benzenesulfonyl)benzene
CID 19980733
N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 166133613
1-(benzenesulfonyl)-9H-carbazole-4-carboxamide
CID 144692825
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
3-(benzenesulfonyl)-1H-quinolin-4-one
CID 6619653
1-benzylsulfonyl-9H-carbazole
CID 140983404

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole?
The IUPAC name of 1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole (CID 174714913) is 1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole.
What is the SMILES notation for 1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole?
The canonical SMILES for 1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole is O=S(=O)(c1ccccc1)c1ccccc1-c1ccc2c([nH]c3ccccc32)c1-c1ccccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole?
The InChIKey is HDVQMBBQTQQPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NO4S2/c38-42(39,25-13-3-1-4-14-25)33-21-11-8-18-28(33)29-23-24-30-27-17-7-10-20-32(27)37-36(30)35(29)31-19-9-12-22-34(31)43(40,41)26-15-5-2-6-16-26/h1-24,37H.
What are the key properties of 1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole?
1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole has a molecular weight of 599.73 g/mol, XLogP of 8.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole is sourced from PubChem (CID 174714913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).