1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole

C40H26N4 — CID 140934222

IUPAC1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole
SMILESc1ccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4cc(-c5ccccn5)cc5ccccc45)cccc32)cc1
InChIInChI=1S/C40H26N4/c1-2-13-28(14-3-1)44-37-22-11-18-32(34-25-27(35-20-8-9-23-41-35)24-26-12-4-5-15-29(26)34)39(37)43-40(44)33-19-10-17-31-30-16-6-7-21-36(30)42-38(31)33/h1-25,42H
InChIKeyNEAXXLXMZKDEDF-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.21
Rot. Bonds4

About 1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole

1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole (PubChem CID 140934222) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole
PubChem CID140934222
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole
SMILESc1ccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4cc(-c5ccccn5)cc5ccccc45)cccc32)cc1
InChIInChI=1S/C40H26N4/c1-2-13-28(14-3-1)44-37-22-11-18-32(34-25-27(35-20-8-9-23-41-35)24-26-12-4-5-15-29(26)34)39(37)43-40(44)33-19-10-17-31-30-16-6-7-21-36(30)42-38(31)33/h1-25,42H
InChIKeyNEAXXLXMZKDEDF-UHFFFAOYSA-N
XLogP10.21
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 510.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934480
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482
2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642444
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
CID 176642525
3-tert-butyl-1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934574
2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522
3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine
CID 176643376
3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole
CID 140934417
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 176643299
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
CID 176643262
2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642564
2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642472

Frequently Asked Questions

What is the IUPAC name of 1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole?
The IUPAC name of 1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole (CID 140934222) is 1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole.
What is the SMILES notation for 1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole?
The canonical SMILES for 1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole is c1ccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4cc(-c5ccccn5)cc5ccccc45)cccc32)cc1.
What is the InChIKey of 1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole?
The InChIKey is NEAXXLXMZKDEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-2-13-28(14-3-1)44-37-22-11-18-32(34-25-27(35-20-8-9-23-41-35)24-26-12-4-5-15-29(26)34)39(37)43-40(44)33-19-10-17-31-30-16-6-7-21-36(30)42-38(31)33/h1-25,42H.
What are the key properties of 1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole?
1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole has a molecular weight of 562.68 g/mol, XLogP of 10.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole is sourced from PubChem (CID 140934222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).