2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol

C30H21N3O — CID 171732512

IUPAC2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2nc(-c3ccccc3)cc3ccccc23)cn1-c1ccccc1
InChIInChI=1S/C30H21N3O/c34-28-18-10-9-17-25(28)30-32-27(20-33(30)23-14-5-2-6-15-23)29-24-16-8-7-13-22(24)19-26(31-29)21-11-3-1-4-12-21/h1-20,34H
InChIKeyHCIMMMRQVXCCTB-UHFFFAOYSA-N
MW439.52 g/mol
LogP7.13
Rot. Bonds4

About 2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol

2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol (PubChem CID 171732512) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol
PubChem CID171732512
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2nc(-c3ccccc3)cc3ccccc23)cn1-c1ccccc1
InChIInChI=1S/C30H21N3O/c34-28-18-10-9-17-25(28)30-32-27(20-33(30)23-14-5-2-6-15-23)29-24-16-8-7-13-22(24)19-26(31-29)21-11-3-1-4-12-21/h1-20,34H
InChIKeyHCIMMMRQVXCCTB-UHFFFAOYSA-N
XLogP7.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 171438742
1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
CID 126578973
1-methyl-3-phenylisoquinoline
CID 10376139
1,3,10-triphenyl-7-(1-phenylisoquinolin-3-yl)pyrrolo[2,3-a]carbazole
CID 118317502
4-[2-(5-fluoro-2-hydroxyphenyl)-4-(2-hydroxyphenyl)imidazol-1-yl]benzoic acid
CID 155184289
2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179
1-(3,5-diphenylphenyl)-3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]isoquinoline;3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(3-naphthalen-1-ylphenyl)isoquinoline;3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(3-phenylphenyl)isoquinoline
CID 157287615
2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 162491770
1-(4-methylphenyl)-2,4-diphenylimidazole
CID 10638706
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165040763
2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 162491859
1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole
CID 154596791

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol?
The IUPAC name of 2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol (CID 171732512) is 2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol.
What is the SMILES notation for 2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol?
The canonical SMILES for 2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol is Oc1ccccc1-c1nc(-c2nc(-c3ccccc3)cc3ccccc23)cn1-c1ccccc1.
What is the InChIKey of 2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol?
The InChIKey is HCIMMMRQVXCCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c34-28-18-10-9-17-25(28)30-32-27(20-33(30)23-14-5-2-6-15-23)29-24-16-8-7-13-22(24)19-26(31-29)21-11-3-1-4-12-21/h1-20,34H.
What are the key properties of 2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol?
2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol has a molecular weight of 439.52 g/mol, XLogP of 7.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol is sourced from PubChem (CID 171732512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).