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

C34H21N3O — CID 156667503

IUPAC8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccccc2-n2c(-c3cccc4c3oc3ncccc34)nc3c4ccccc4ccc32)cc1
InChIInChI=1S/C34H21N3O/c1-2-10-22(11-3-1)24-13-6-7-18-29(24)37-30-20-19-23-12-4-5-14-25(23)31(30)36-33(37)28-16-8-15-26-27-17-9-21-35-34(27)38-32(26)28/h1-21H
InChIKeyZKZZMFKWNONZLT-UHFFFAOYSA-N
MW487.56 g/mol
LogP8.81
Rot. Bonds3

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

8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 156667503) has the molecular formula C34H21N3O and a molecular weight of 487.56 g/mol. Its IUPAC name is 8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID156667503
Molecular FormulaC34H21N3O
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccccc2-n2c(-c3cccc4c3oc3ncccc34)nc3c4ccccc4ccc32)cc1
InChIInChI=1S/C34H21N3O/c1-2-10-22(11-3-1)24-13-6-7-18-29(24)37-30-20-19-23-12-4-5-14-25(23)31(30)36-33(37)28-16-8-15-26-27-17-9-21-35-34(27)38-32(26)28/h1-21H
InChIKeyZKZZMFKWNONZLT-UHFFFAOYSA-N
XLogP8.81
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 58.81
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-naphtho[1,2-b][1]benzofuran-10-yl-1-(2-phenylphenyl)benzo[e]benzimidazole
CID 156660260
8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669158
3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156668332
8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156667757
10-[3-(4-tert-butyl-2-phenylphenyl)benzo[e]benzimidazol-2-yl]-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]quinolizin-12-ium
CID 156672166
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline
CID 164825395
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216
2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 164825035
8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 156667503) is 8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2ccccc2-n2c(-c3cccc4c3oc3ncccc34)nc3c4ccccc4ccc32)cc1.
What is the InChIKey of 8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is ZKZZMFKWNONZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3O/c1-2-10-22(11-3-1)24-13-6-7-18-29(24)37-30-20-19-23-12-4-5-14-25(23)31(30)36-33(37)28-16-8-15-26-27-17-9-21-35-34(27)38-32(26)28/h1-21H.
What are the key properties of 8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 487.56 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156667503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).