4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum

C27H20N3Pt- — CID 58947217

IUPAC4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum
SMILES[Pt].[c-]1ccc(-c2ccncc2)cc1-c1nccn1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C27H20N3.Pt/c1-2-7-21(8-3-1)19-24-9-4-5-12-26(24)30-18-17-29-27(30)25-11-6-10-23(20-25)22-13-15-28-16-14-22;/h1-10,12-18,20H,19H2;/q-1;
InChIKeyAIQFFJNTHTVUDL-UHFFFAOYSA-N
MW581.56 g/mol
LogP5.99
Rot. Bonds5

About 4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum

4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum (PubChem CID 58947217) has the molecular formula C27H20N3Pt- and a molecular weight of 581.56 g/mol. Its IUPAC name is 4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum.

Molecular Properties

Compound Name4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum
PubChem CID58947217
Molecular FormulaC27H20N3Pt-
Molecular Weight581.56 g/mol
Exact Mass581.13
IUPAC Name4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum
SMILES[Pt].[c-]1ccc(-c2ccncc2)cc1-c1nccn1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C27H20N3.Pt/c1-2-7-21(8-3-1)19-24-9-4-5-12-26(24)30-18-17-29-27(30)25-11-6-10-23(20-25)22-13-15-28-16-14-22;/h1-10,12-18,20H,19H2;/q-1;
InChIKeyAIQFFJNTHTVUDL-UHFFFAOYSA-N
XLogP5.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.56
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum 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-(2-methylpropyl)phenyl]-2-(3H-naphthalen-3-id-2-yl)imidazole;platinum
CID 58947398
iridium;1-naphthalen-1-yl-2-phenylimidazole
CID 58113418
2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide
CID 172691698
4-(4-benzylphenyl)pyridine
CID 174553937
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
3-benzyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine
CID 162708126
deuterium monohydride;1-(2,6-dimethyl-4-phenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)imidazole;iridium
CID 159668232
tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine
CID 161359423
1-(2-benzylphenyl)-2,5-dimethylpyrrole
CID 15643956
2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium
CID 140587226
2-[3-[3,5-bis(4-tert-butylphenyl)-2-methylphenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;tris(iridium)
CID 161273432

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum?
The IUPAC name of 4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum (CID 58947217) is 4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum.
What is the SMILES notation for 4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum?
The canonical SMILES for 4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum is [Pt].[c-]1ccc(-c2ccncc2)cc1-c1nccn1-c1ccccc1Cc1ccccc1.
What is the InChIKey of 4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum?
The InChIKey is AIQFFJNTHTVUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N3.Pt/c1-2-7-21(8-3-1)19-24-9-4-5-12-26(24)30-18-17-29-27(30)25-11-6-10-23(20-25)22-13-15-28-16-14-22;/h1-10,12-18,20H,19H2;/q-1;.
What are the key properties of 4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum?
4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum has a molecular weight of 581.56 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(2-benzylphenyl)imidazol-2-yl]benzene-4-id-1-yl]pyridine;platinum is sourced from PubChem (CID 58947217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).