2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole

C36H25N5 — CID 142328728

IUPAC2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
SMILESCn1c(-c2ccc3c4ccccc4n(-c4cccc(-c5cccc(-c6ccncc6)n5)c4)c3c2)nc2ccccc21
InChIInChI=1S/C36H25N5/c1-40-34-15-5-3-11-32(34)39-36(40)26-16-17-29-28-10-2-4-14-33(28)41(35(29)23-26)27-9-6-8-25(22-27)31-13-7-12-30(38-31)24-18-20-37-21-19-24/h2-23H,1H3
InChIKeyXAVZDAGLNBQJCS-UHFFFAOYSA-N
MW527.63 g/mol
LogP8.46
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole

2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole (PubChem CID 142328728) has the molecular formula C36H25N5 and a molecular weight of 527.63 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
PubChem CID142328728
Molecular FormulaC36H25N5
Molecular Weight527.63 g/mol
Exact Mass527.21
IUPAC Name2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
SMILESCn1c(-c2ccc3c4ccccc4n(-c4cccc(-c5cccc(-c6ccncc6)n5)c4)c3c2)nc2ccccc21
InChIInChI=1S/C36H25N5/c1-40-34-15-5-3-11-32(34)39-36(40)26-16-17-29-28-10-2-4-14-33(28)41(35(29)23-26)27-9-6-8-25(22-27)31-13-7-12-30(38-31)24-18-20-37-21-19-24/h2-23H,1H3
InChIKeyXAVZDAGLNBQJCS-UHFFFAOYSA-N
XLogP8.46
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-7-pyrrol-1-ylcarbazole
CID 142329038
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-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole
CID 140923124
2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142329407
2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole
CID 159360341
2-(1-methyl-7-pyridin-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285156
2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
CID 153285674
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole
CID 142328090

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole (CID 142328728) is 2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole is Cn1c(-c2ccc3c4ccccc4n(-c4cccc(-c5cccc(-c6ccncc6)n5)c4)c3c2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole?
The InChIKey is XAVZDAGLNBQJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N5/c1-40-34-15-5-3-11-32(34)39-36(40)26-16-17-29-28-10-2-4-14-33(28)41(35(29)23-26)27-9-6-8-25(22-27)31-13-7-12-30(38-31)24-18-20-37-21-19-24/h2-23H,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole?
2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole has a molecular weight of 527.63 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole is sourced from PubChem (CID 142328728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).