2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol

C31H22N2O — CID 137086249

IUPAC2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1cccc2ccccc12
InChIInChI=1S/C31H22N2O/c34-28-21-10-9-19-26(28)31-32-29(23-13-3-1-4-14-23)30(24-15-5-2-6-16-24)33(31)27-20-11-17-22-12-7-8-18-25(22)27/h1-21,34H
InChIKeyXVIFJZWERQAEIG-UHFFFAOYSA-N
MW438.53 g/mol
LogP7.73
Rot. Bonds4

About 2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol

2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol (PubChem CID 137086249) has the molecular formula C31H22N2O and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol
PubChem CID137086249
Molecular FormulaC31H22N2O
Molecular Weight438.53 g/mol
Exact Mass438.17
IUPAC Name2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1cccc2ccccc12
InChIInChI=1S/C31H22N2O/c34-28-21-10-9-19-26(28)31-32-29(23-13-3-1-4-14-23)30(24-15-5-2-6-16-24)33(31)27-20-11-17-22-12-7-8-18-25(22)27/h1-21,34H
InChIKeyXVIFJZWERQAEIG-UHFFFAOYSA-N
XLogP7.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-phenylacenaphthyleno[1,2-d]imidazol-8-yl)phenol
CID 155816575
1-methyl-9-naphthalen-1-yl-8-phenylcarbazole
CID 138623517
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
CID 70958787
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
2,4,5-triphenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]imidazole
CID 89292400
3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole
CID 102365164
3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole
CID 91542919
1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 148932878
1-(2-chlorophenyl)-2-methyl-4,5-diphenylimidazole
CID 19902800
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
CID 58518663

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol?
The IUPAC name of 2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol (CID 137086249) is 2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol.
What is the SMILES notation for 2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol?
The canonical SMILES for 2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol is Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1cccc2ccccc12.
What is the InChIKey of 2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol?
The InChIKey is XVIFJZWERQAEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O/c34-28-21-10-9-19-26(28)31-32-29(23-13-3-1-4-14-23)30(24-15-5-2-6-16-24)33(31)27-20-11-17-22-12-7-8-18-25(22)27/h1-21,34H.
What are the key properties of 2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol?
2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol has a molecular weight of 438.53 g/mol, XLogP of 7.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-yl-4,5-diphenylimidazol-2-yl)phenol is sourced from PubChem (CID 137086249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).