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

C46H28N4O — CID 140934498

IUPAC1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3cccc4ccccc34)cc3c2oc2ccccc23)nc1
InChIInChI=1S/C46H28N4O/c1-2-14-30-28(12-1)13-9-22-40(30)50-41-23-11-17-31(44(41)49-46(50)35-19-10-18-34-32-15-3-5-21-39(32)48-43(34)35)29-26-36-33-16-4-6-24-42(33)51-45(36)37(27-29)38-20-7-8-25-47-38/h1-27,48H
InChIKeyJWJOXQJGKTVTDH-UHFFFAOYSA-N
MW652.76 g/mol
LogP12.11
Rot. Bonds4

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

1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole (PubChem CID 140934498) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole
PubChem CID140934498
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3cccc4ccccc34)cc3c2oc2ccccc23)nc1
InChIInChI=1S/C46H28N4O/c1-2-14-30-28(12-1)13-9-22-40(30)50-41-23-11-17-31(44(41)49-46(50)35-19-10-18-34-32-15-3-5-21-39(32)48-43(34)35)29-26-36-33-16-4-6-24-42(33)51-45(36)37(27-29)38-20-7-8-25-47-38/h1-27,48H
InChIKeyJWJOXQJGKTVTDH-UHFFFAOYSA-N
XLogP12.11
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 512.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
3-tert-butyl-1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934574
2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 140832986
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
1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934222
1-[3-[2-(3-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934132
1-(6-dibenzofuran-4-yl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902322
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482
1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934381
3-tert-butyl-1-[4-(3-isoquinolin-1-ylphenyl)-1-naphthalen-1-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934174
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934600
2-[1-naphthalen-1-yl-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2-[1-naphthalen-1-yl-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]-5-phenylphenol;2-[1-naphthalen-1-yl-4-[2-(5-trimethylsilyl-2-pyridinyl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]-5-phenylphenol;2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]-5-phenylphenol;platinum
CID 157316083

Frequently Asked Questions

What is the IUPAC name of 1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole?
The IUPAC name of 1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole (CID 140934498) is 1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole.
What is the SMILES notation for 1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole?
The canonical SMILES for 1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole is c1ccc(-c2cc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3cccc4ccccc34)cc3c2oc2ccccc23)nc1.
What is the InChIKey of 1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole?
The InChIKey is JWJOXQJGKTVTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-2-14-30-28(12-1)13-9-22-40(30)50-41-23-11-17-31(44(41)49-46(50)35-19-10-18-34-32-15-3-5-21-39(32)48-43(34)35)29-26-36-33-16-4-6-24-42(33)51-45(36)37(27-29)38-20-7-8-25-47-38/h1-27,48H.
What are the key properties of 1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole?
1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole has a molecular weight of 652.76 g/mol, XLogP of 12.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole is sourced from PubChem (CID 140934498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).