2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol

C45H39N3O — CID 170672391

IUPAC2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)c1ccc(-n2c(-c3ccccc3)cc3c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C(C)C)cc4)cccc32)cc1
InChIInChI=1S/C45H39N3O/c1-29(2)31-20-24-34(25-21-31)47-40-17-10-15-36(39(40)28-42(47)33-12-6-5-7-13-33)37-16-11-18-41-44(37)46-45(38-14-8-9-19-43(38)49)48(41)35-26-22-32(23-27-35)30(3)4/h5-30,49H,1-4H3
InChIKeyZHGLDICTDAMIEX-UHFFFAOYSA-N
MW637.83 g/mol
LogP11.92
Rot. Bonds7

About 2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol

2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol (PubChem CID 170672391) has the molecular formula C45H39N3O and a molecular weight of 637.83 g/mol. Its IUPAC name is 2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol
PubChem CID170672391
Molecular FormulaC45H39N3O
Molecular Weight637.83 g/mol
Exact Mass637.31
IUPAC Name2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)c1ccc(-n2c(-c3ccccc3)cc3c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C(C)C)cc4)cccc32)cc1
InChIInChI=1S/C45H39N3O/c1-29(2)31-20-24-34(25-21-31)47-40-17-10-15-36(39(40)28-42(47)33-12-6-5-7-13-33)37-16-11-18-41-44(37)46-45(38-14-8-9-19-43(38)49)48(41)35-26-22-32(23-27-35)30(3)4/h5-30,49H,1-4H3
InChIKeyZHGLDICTDAMIEX-UHFFFAOYSA-N
XLogP11.92
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 511.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol 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

2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 164742379
2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one
CID 135520479
2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol
CID 162783149
2-[1-phenyl-4-[3-[4-[3-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164742307
2-[1-(4-tert-butylphenyl)-4-[3-(6-propan-2-ylquinolin-8-yl)phenyl]benzimidazol-2-yl]-4-propan-2-ylphenol
CID 177110848
2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)phenyl]benzimidazol-2-yl]-4-propan-2-ylphenol
CID 177110028
2-[1-[2,6-di(propan-2-yl)phenyl]-4-[3-(7-propan-2-ylisoquinolin-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 171420122
bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine
CID 177296292
deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 159670706
4-tert-butyl-2-[1-phenyl-4-[3-(6-phenylquinolin-8-yl)-5-propan-2-ylphenyl]benzimidazol-2-yl]phenol
CID 177110662
2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171424927
3-phenyl-9-[4-[6-[9-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]carbazol-3-yl]naphthalen-2-yl]phenyl]-6-[4-(4-propan-2-ylphenyl)phenyl]carbazole
CID 139504733

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol (CID 170672391) is 2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol is CC(C)c1ccc(-n2c(-c3ccccc3)cc3c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C(C)C)cc4)cccc32)cc1.
What is the InChIKey of 2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is ZHGLDICTDAMIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39N3O/c1-29(2)31-20-24-34(25-21-31)47-40-17-10-15-36(39(40)28-42(47)33-12-6-5-7-13-33)37-16-11-18-41-44(37)46-45(38-14-8-9-19-43(38)49)48(41)35-26-22-32(23-27-35)30(3)4/h5-30,49H,1-4H3.
What are the key properties of 2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol?
2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 637.83 g/mol, XLogP of 11.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-phenyl-1-(4-propan-2-ylphenyl)indol-4-yl]-1-(4-propan-2-ylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 170672391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).