2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+)

C36H23N3OPt — CID 164845418

IUPAC2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-c1[c-]c(Oc2nc3c(-c4ccccn4)cccc3n2-c2ccccc2-c2ccccc2)ccc1
InChIInChI=1S/C36H23N3O.Pt/c1-3-13-26(14-4-1)28-17-11-18-29(25-28)40-36-38-35-31(32-21-9-10-24-37-32)20-12-23-34(35)39(36)33-22-8-7-19-30(33)27-15-5-2-6-16-27;/h1-13,15-24H;/q-2;+2
InChIKeyQFYHQYWOOVGTLM-UHFFFAOYSA-N
MW708.68 g/mol
LogP8.81
Rot. Bonds6

About 2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+)

2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+) (PubChem CID 164845418) has the molecular formula C36H23N3OPt and a molecular weight of 708.68 g/mol. Its IUPAC name is 2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+).

Molecular Properties

Compound Name2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+)
PubChem CID164845418
Molecular FormulaC36H23N3OPt
Molecular Weight708.68 g/mol
Exact Mass708.15
IUPAC Name2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-c1[c-]c(Oc2nc3c(-c4ccccn4)cccc3n2-c2ccccc2-c2ccccc2)ccc1
InChIInChI=1S/C36H23N3O.Pt/c1-3-13-26(14-4-1)28-17-11-18-29(25-28)40-36-38-35-31(32-21-9-10-24-37-32)20-12-23-34(35)39(36)33-22-8-7-19-30(33)27-15-5-2-6-16-27;/h1-13,15-24H;/q-2;+2
InChIKeyQFYHQYWOOVGTLM-UHFFFAOYSA-N
XLogP8.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.68
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole
CID 164845432
4-[3-tert-butyl-5-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)-2-(phenoxy)benzimidazole;platinum(2+)
CID 164845210
2-[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 153421938
4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
CID 162783058
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;iridium(3+);tris(2-phenylpyridine)
CID 161087600
iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
CID 153426884
1-(2,6-diphenylphenyl)-5-phenyl-2-phenylbenzimidazole;iridium;2-phenylpyridine
CID 153426888
iridium;2-methyl-3-phenyl-6-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 166495302
tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine
CID 162040974
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144
iridium;tris(2-phenylpyridine)
CID 23386734

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+)?
The IUPAC name of 2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+) (CID 164845418) is 2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+).
What is the SMILES notation for 2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+)?
The canonical SMILES for 2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+) is [Pt+2].[c-]1ccccc1-c1[c-]c(Oc2nc3c(-c4ccccn4)cccc3n2-c2ccccc2-c2ccccc2)ccc1.
What is the InChIKey of 2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+)?
The InChIKey is QFYHQYWOOVGTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3O.Pt/c1-3-13-26(14-4-1)28-17-11-18-29(25-28)40-36-38-35-31(32-21-9-10-24-37-32)20-12-23-34(35)39(36)33-22-8-7-19-30(33)27-15-5-2-6-16-27;/h1-13,15-24H;/q-2;+2.
What are the key properties of 2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+)?
2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+) has a molecular weight of 708.68 g/mol, XLogP of 8.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+) is sourced from PubChem (CID 164845418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).