2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum

C56H40N3OPt- — CID 168843925

IUPAC2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum
SMILESOc1c(Cc2ccccc2Cc2cncc3ccccc23)cc(-c2ccccc2)cc1-c1cn(-c2c(-c3ccccc3)cccc2-c2ccccc2)c(-c2[c-]cccc2)n1.[Pt]
InChIInChI=1S/C56H40N3O.Pt/c60-55-47(32-43-26-13-14-27-44(43)33-48-37-57-36-45-28-15-16-29-49(45)48)34-46(39-18-5-1-6-19-39)35-52(55)53-38-59(56(58-53)42-24-11-4-12-25-42)54-50(40-20-7-2-8-21-40)30-17-31-51(54)41-22-9-3-10-23-41;/h1-24,26-31,34-38,60H,32-33H2;/q-1;
InChIKeyXNJBNYWWQHKVEP-UHFFFAOYSA-N
MW966.03 g/mol
LogP13.44
Rot. Bonds10

About 2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum

2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum (PubChem CID 168843925) has the molecular formula C56H40N3OPt- and a molecular weight of 966.03 g/mol. Its IUPAC name is 2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum.

Molecular Properties

Compound Name2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum
PubChem CID168843925
Molecular FormulaC56H40N3OPt-
Molecular Weight966.03 g/mol
Exact Mass965.28
IUPAC Name2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum
SMILESOc1c(Cc2ccccc2Cc2cncc3ccccc23)cc(-c2ccccc2)cc1-c1cn(-c2c(-c3ccccc3)cccc2-c2ccccc2)c(-c2[c-]cccc2)n1.[Pt]
InChIInChI=1S/C56H40N3O.Pt/c60-55-47(32-43-26-13-14-27-44(43)33-48-37-57-36-45-28-15-16-29-49(45)48)34-46(39-18-5-1-6-19-39)35-52(55)53-38-59(56(58-53)42-24-11-4-12-25-42)54-50(40-20-7-2-8-21-40)30-17-31-51(54)41-22-9-3-10-23-41;/h1-24,26-31,34-38,60H,32-33H2;/q-1;
InChIKeyXNJBNYWWQHKVEP-UHFFFAOYSA-N
XLogP13.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.03
LogP ≤ 513.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum
CID 168843856
2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum
CID 168843880
2-[1-(2,6-diphenylphenyl)-4-quinolin-8-ylimidazol-2-yl]-1H-phenanthridin-1-id-10-ol;platinum
CID 170685809
2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol
CID 171420085
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum
CID 171732517
1-[4-[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-2,6-di(propan-2-yl)phenyl]-4-(3,5-dimethylphenyl)-2-phenylimidazole;4-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-2-phenylimidazole;3-(3,5-dipyridin-3-ylphenyl)-5-(4-phenyl-2-phenylimidazol-1-yl)pyridine;tris(iridium)
CID 157260548
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
1-(2,6-diphenylphenyl)-5-phenyl-2-phenylbenzimidazole;iridium;2-phenylpyridine
CID 153426888
iridium(3+);4-(1,1,2,2,2-pentadeuterioethyl)-5-phenyl-2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine)
CID 59547003
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum
CID 162491899
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066
iridium;2-methyl-3-phenyl-6-phenylpyridine
CID 58435059

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum?
The IUPAC name of 2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum (CID 168843925) is 2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum.
What is the SMILES notation for 2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum?
The canonical SMILES for 2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum is Oc1c(Cc2ccccc2Cc2cncc3ccccc23)cc(-c2ccccc2)cc1-c1cn(-c2c(-c3ccccc3)cccc2-c2ccccc2)c(-c2[c-]cccc2)n1.[Pt].
What is the InChIKey of 2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum?
The InChIKey is XNJBNYWWQHKVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N3O.Pt/c60-55-47(32-43-26-13-14-27-44(43)33-48-37-57-36-45-28-15-16-29-49(45)48)34-46(39-18-5-1-6-19-39)35-52(55)53-38-59(56(58-53)42-24-11-4-12-25-42)54-50(40-20-7-2-8-21-40)30-17-31-51(54)41-22-9-3-10-23-41;/h1-24,26-31,34-38,60H,32-33H2;/q-1;.
What are the key properties of 2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum?
2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum has a molecular weight of 966.03 g/mol, XLogP of 13.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum is sourced from PubChem (CID 168843925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).