2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole

C39H26N4S2 — CID 142329004

IUPAC2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole
SMILESCn1c(-c2cc3c(cc2-c2cccs2)c2cc(-c4cccs4)ccc2n3-c2cccc(-c3ccccn3)c2)nc2ccccc21
InChIInChI=1S/C39H26N4S2/c1-42-35-13-3-2-12-33(35)41-39(42)31-24-36-29(23-30(31)38-15-8-20-45-38)28-22-26(37-14-7-19-44-37)16-17-34(28)43(36)27-10-6-9-25(21-27)32-11-4-5-18-40-32/h2-24H,1H3
InChIKeyWZSVGFQWPJIVFR-UHFFFAOYSA-N
MW614.80 g/mol
LogP10.86
Rot. Bonds5

About 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole

2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole (PubChem CID 142329004) has the molecular formula C39H26N4S2 and a molecular weight of 614.80 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole
PubChem CID142329004
Molecular FormulaC39H26N4S2
Molecular Weight614.80 g/mol
Exact Mass614.16
IUPAC Name2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole
SMILESCn1c(-c2cc3c(cc2-c2cccs2)c2cc(-c4cccs4)ccc2n3-c2cccc(-c3ccccn3)c2)nc2ccccc21
InChIInChI=1S/C39H26N4S2/c1-42-35-13-3-2-12-33(35)41-39(42)31-24-36-29(23-30(31)38-15-8-20-45-38)28-22-26(37-14-7-19-44-37)16-17-34(28)43(36)27-10-6-9-25(21-27)32-11-4-5-18-40-32/h2-24H,1H3
InChIKeyWZSVGFQWPJIVFR-UHFFFAOYSA-N
XLogP10.86
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.80
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328409
2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole
CID 142329467
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285580
2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328473
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328762
2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole
CID 142329463
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-7-pyrrol-1-ylcarbazole
CID 142329038
2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142329407
2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 142328728
2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285040

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole (CID 142329004) is 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole is Cn1c(-c2cc3c(cc2-c2cccs2)c2cc(-c4cccs4)ccc2n3-c2cccc(-c3ccccn3)c2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole?
The InChIKey is WZSVGFQWPJIVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4S2/c1-42-35-13-3-2-12-33(35)41-39(42)31-24-36-29(23-30(31)38-15-8-20-45-38)28-22-26(37-14-7-19-44-37)16-17-34(28)43(36)27-10-6-9-25(21-27)32-11-4-5-18-40-32/h2-24H,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole?
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole has a molecular weight of 614.80 g/mol, XLogP of 10.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole is sourced from PubChem (CID 142329004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).