2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol

C48H31N3O2 — CID 171420085

IUPAC2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol
SMILESOc1cc2oc3ccccc3c2cc1-c1nc(-c2cccc(-c3cc4ccccc4cn3)c2)cn1-c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C48H31N3O2/c52-44-28-46-40(39-21-9-10-24-45(39)53-46)27-41(44)48-50-43(35-20-11-19-34(25-35)42-26-33-17-7-8-18-36(33)29-49-42)30-51(48)47-37(31-13-3-1-4-14-31)22-12-23-38(47)32-15-5-2-6-16-32/h1-30,52H
InChIKeyKUSNSLUEPAKQGR-UHFFFAOYSA-N
MW681.80 g/mol
LogP12.36
Rot. Bonds6

About 2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol

2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol (PubChem CID 171420085) has the molecular formula C48H31N3O2 and a molecular weight of 681.80 g/mol. Its IUPAC name is 2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol.

Molecular Properties

Compound Name2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol
PubChem CID171420085
Molecular FormulaC48H31N3O2
Molecular Weight681.80 g/mol
Exact Mass681.24
IUPAC Name2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol
SMILESOc1cc2oc3ccccc3c2cc1-c1nc(-c2cccc(-c3cc4ccccc4cn3)c2)cn1-c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C48H31N3O2/c52-44-28-46-40(39-21-9-10-24-45(39)53-46)27-41(44)48-50-43(35-20-11-19-34(25-35)42-26-33-17-7-8-18-36(33)29-49-42)30-51(48)47-37(31-13-3-1-4-14-31)22-12-23-38(47)32-15-5-2-6-16-32/h1-30,52H
InChIKeyKUSNSLUEPAKQGR-UHFFFAOYSA-N
XLogP12.36
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.80
LogP ≤ 512.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol 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-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylimidazol-2-yl]phenol
CID 171420164
2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol
CID 171732514
2-[4-(4-isoquinolin-3-yldibenzofuran-2-yl)-1-methylbenzimidazol-2-yl]phenol
CID 171420101
5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine
CID 121367236
2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium
CID 58947482
2,3-diphenyldibenzofuran
CID 12699263
1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum
CID 171420134
3-[4-phenyl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]isoquinoline
CID 174301549
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
CID 171732550
3-azulen-2-ylisoquinoline
CID 139326489
5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine
CID 153458193
7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline
CID 174302135

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol?
The IUPAC name of 2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol (CID 171420085) is 2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol.
What is the SMILES notation for 2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol?
The canonical SMILES for 2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol is Oc1cc2oc3ccccc3c2cc1-c1nc(-c2cccc(-c3cc4ccccc4cn3)c2)cn1-c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol?
The InChIKey is KUSNSLUEPAKQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O2/c52-44-28-46-40(39-21-9-10-24-45(39)53-46)27-41(44)48-50-43(35-20-11-19-34(25-35)42-26-33-17-7-8-18-36(33)29-49-42)30-51(48)47-37(31-13-3-1-4-14-31)22-12-23-38(47)32-15-5-2-6-16-32/h1-30,52H.
What are the key properties of 2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol?
2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol has a molecular weight of 681.80 g/mol, XLogP of 12.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol is sourced from PubChem (CID 171420085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).