2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine

C36H23N3O — CID 156668098

IUPAC2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc(-n3c(-c4cccc5c4oc4nc(-c6ccccc6)ccc45)nc4ccccc43)cc2)cc1
InChIInChI=1S/C36H23N3O/c1-3-10-24(11-4-1)25-18-20-27(21-19-25)39-33-17-8-7-16-32(33)37-35(39)30-15-9-14-28-29-22-23-31(26-12-5-2-6-13-26)38-36(29)40-34(28)30/h1-23H
InChIKeyNSSRDXMMKYWONT-UHFFFAOYSA-N
MW513.60 g/mol
LogP9.32
Rot. Bonds4

About 2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine

2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 156668098) has the molecular formula C36H23N3O and a molecular weight of 513.60 g/mol. Its IUPAC name is 2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID156668098
Molecular FormulaC36H23N3O
Molecular Weight513.60 g/mol
Exact Mass513.18
IUPAC Name2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc(-n3c(-c4cccc5c4oc4nc(-c6ccccc6)ccc45)nc4ccccc43)cc2)cc1
InChIInChI=1S/C36H23N3O/c1-3-10-24(11-4-1)25-18-20-27(21-19-25)39-33-17-8-7-16-32(33)37-35(39)30-15-9-14-28-29-22-23-31(26-12-5-2-6-13-26)38-36(29)40-34(28)30/h1-23H
InChIKeyNSSRDXMMKYWONT-UHFFFAOYSA-N
XLogP9.32
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670352
8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 156670394
2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669508
4-[8-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]benzonitrile
CID 171051825
4-[8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]benzonitrile
CID 171051864
8-[1-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(3,5-ditert-butylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 176646015
2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668460
8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
CID 156670151
2-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-1-phenylbenzimidazole
CID 146513867
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 156668098) is 2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2ccc(-n3c(-c4cccc5c4oc4nc(-c6ccccc6)ccc45)nc4ccccc43)cc2)cc1.
What is the InChIKey of 2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is NSSRDXMMKYWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3O/c1-3-10-24(11-4-1)25-18-20-27(21-19-25)39-33-17-8-7-16-32(33)37-35(39)30-15-9-14-28-29-22-23-31(26-12-5-2-6-13-26)38-36(29)40-34(28)30/h1-23H.
What are the key properties of 2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 513.60 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156668098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).