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

C44H28N4 — CID 140934480

IUPAC1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3cccc4ccccc34)cc3ccccc23)nc1
InChIInChI=1S/C44H28N4/c1-4-16-32-28(12-1)14-9-23-40(32)48-41-24-11-18-33(30-26-29-13-2-3-15-31(29)37(27-30)38-21-7-8-25-45-38)43(41)47-44(48)36-20-10-19-35-34-17-5-6-22-39(34)46-42(35)36/h1-27,46H
InChIKeyKUWWHESUMIOJJA-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.36
Rot. Bonds4

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

1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole (PubChem CID 140934480) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
PubChem CID140934480
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3cccc4ccccc34)cc3ccccc23)nc1
InChIInChI=1S/C44H28N4/c1-4-16-32-28(12-1)14-9-23-40(32)48-41-24-11-18-33(30-26-29-13-2-3-15-31(29)37(27-30)38-21-7-8-25-45-38)43(41)47-44(48)36-20-10-19-35-34-17-5-6-22-39(34)46-42(35)36/h1-27,46H
InChIKeyKUWWHESUMIOJJA-UHFFFAOYSA-N
XLogP11.36
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934574
1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934498
1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934222
1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole
CID 140934353
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482
3-tert-butyl-1-[4-(3-isoquinolin-1-ylphenyl)-1-naphthalen-1-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934174
2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522
2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642472
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934313
3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine
CID 176643376
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
CID 176642525
2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642564

Frequently Asked Questions

What is the IUPAC name of 1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole?
The IUPAC name of 1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole (CID 140934480) is 1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole.
What is the SMILES notation for 1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole?
The canonical SMILES for 1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole is c1ccc(-c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3cccc4ccccc34)cc3ccccc23)nc1.
What is the InChIKey of 1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole?
The InChIKey is KUWWHESUMIOJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-4-16-32-28(12-1)14-9-23-40(32)48-41-24-11-18-33(30-26-29-13-2-3-15-31(29)37(27-30)38-21-7-8-25-45-38)43(41)47-44(48)36-20-10-19-35-34-17-5-6-22-39(34)46-42(35)36/h1-27,46H.
What are the key properties of 1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole?
1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole has a molecular weight of 612.74 g/mol, XLogP of 11.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole is sourced from PubChem (CID 140934480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).