9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole

C34H21NO2S4 — CID 53349834

IUPAC9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole
SMILESO=S(=O)(c1ccccc1)n1c2ccccc2c2cc3cc(-c4cc(-c5cccs5)cc(-c5cccs5)c4)sc3cc21
InChIInChI=1S/C34H21NO2S4/c36-41(37,26-8-2-1-3-9-26)35-29-11-5-4-10-27(29)28-19-25-20-33(40-34(25)21-30(28)35)24-17-22(31-12-6-14-38-31)16-23(18-24)32-13-7-15-39-32/h1-21H
InChIKeyGINMBEXPYQKLGB-UHFFFAOYSA-N
MW603.82 g/mol
LogP10.37
Rot. Bonds5

About 9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole

9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole (PubChem CID 53349834) has the molecular formula C34H21NO2S4 and a molecular weight of 603.82 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole
PubChem CID53349834
Molecular FormulaC34H21NO2S4
Molecular Weight603.82 g/mol
Exact Mass603.05
IUPAC Name9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole
SMILESO=S(=O)(c1ccccc1)n1c2ccccc2c2cc3cc(-c4cc(-c5cccs5)cc(-c5cccs5)c4)sc3cc21
InChIInChI=1S/C34H21NO2S4/c36-41(37,26-8-2-1-3-9-26)35-29-11-5-4-10-27(29)28-19-25-20-33(40-34(25)21-30(28)35)24-17-22(31-12-6-14-38-31)16-23(18-24)32-13-7-15-39-32/h1-21H
InChIKeyGINMBEXPYQKLGB-UHFFFAOYSA-N
XLogP10.37
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.82
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole?
The IUPAC name of 9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole (CID 53349834) is 9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole.
What is the SMILES notation for 9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole?
The canonical SMILES for 9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole is O=S(=O)(c1ccccc1)n1c2ccccc2c2cc3cc(-c4cc(-c5cccs5)cc(-c5cccs5)c4)sc3cc21.
What is the InChIKey of 9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole?
The InChIKey is GINMBEXPYQKLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NO2S4/c36-41(37,26-8-2-1-3-9-26)35-29-11-5-4-10-27(29)28-19-25-20-33(40-34(25)21-30(28)35)24-17-22(31-12-6-14-38-31)16-23(18-24)32-13-7-15-39-32/h1-21H.
What are the key properties of 9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole?
9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole has a molecular weight of 603.82 g/mol, XLogP of 10.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2-(3,5-dithiophen-2-ylphenyl)thieno[2,3-b]carbazole is sourced from PubChem (CID 53349834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).