1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole

C49H32N2O — CID 156657361

IUPAC1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)oc3c(-c5nc6ccccc6n5-c5c(-c6ccccc6)cccc5-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C49H32N2O/c1-4-14-33(15-5-1)34-26-28-35(29-27-34)38-30-31-41-42-22-13-23-43(48(42)52-46(41)32-38)49-50-44-24-10-11-25-45(44)51(49)47-39(36-16-6-2-7-17-36)20-12-21-40(47)37-18-8-3-9-19-37/h1-32H
InChIKeyWMZBRKLGELYRJZ-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.26
Rot. Bonds6

About 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole

1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole (PubChem CID 156657361) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole.

Molecular Properties

Compound Name1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
PubChem CID156657361
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC Name1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)oc3c(-c5nc6ccccc6n5-c5c(-c6ccccc6)cccc5-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C49H32N2O/c1-4-14-33(15-5-1)34-26-28-35(29-27-34)38-30-31-41-42-22-13-23-43(48(42)52-46(41)32-38)49-50-44-24-10-11-25-45(44)51(49)47-39(36-16-6-2-7-17-36)20-12-21-40(47)37-18-8-3-9-19-37/h1-32H
InChIKeyWMZBRKLGELYRJZ-UHFFFAOYSA-N
XLogP13.26
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 167387931
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
1-cyclopentyl-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 170531806
3-[6-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]benzonitrile
CID 171461592
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
[4-[2,6-difluoro-4-[2-(7-phenyldibenzofuran-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane
CID 169299507
1-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 176865596
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 169299563
3-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]quinoline
CID 164825385

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole?
The IUPAC name of 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole (CID 156657361) is 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole.
What is the SMILES notation for 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole?
The canonical SMILES for 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole is c1ccc(-c2ccc(-c3ccc4c(c3)oc3c(-c5nc6ccccc6n5-c5c(-c6ccccc6)cccc5-c5ccccc5)cccc34)cc2)cc1.
What is the InChIKey of 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole?
The InChIKey is WMZBRKLGELYRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c1-4-14-33(15-5-1)34-26-28-35(29-27-34)38-30-31-41-42-22-13-23-43(48(42)52-46(41)32-38)49-50-44-24-10-11-25-45(44)51(49)47-39(36-16-6-2-7-17-36)20-12-21-40(47)37-18-8-3-9-19-37/h1-32H.
What are the key properties of 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole?
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole has a molecular weight of 664.81 g/mol, XLogP of 13.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole is sourced from PubChem (CID 156657361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).