2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum

C35H28N3OPt- — CID 168843856

IUPAC2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum
SMILESCn1cc(-c2cc(-c3ccccc3)cc(C/C=C\Cc3cncc4ccccc34)c2O)nc1-c1[c-]cccc1.[Pt]
InChIInChI=1S/C35H28N3O.Pt/c1-38-24-33(37-35(38)26-14-6-3-7-15-26)32-21-30(25-12-4-2-5-13-25)20-27(34(32)39)16-8-9-17-28-22-36-23-29-18-10-11-19-31(28)29;/h2-14,18-24,39H,16-17H2,1H3;/q-1;/b9-8-;
InChIKeyFEIFNWZRRGXECF-UOQXYWCXSA-N
MW701.71 g/mol
LogP7.81
Rot. Bonds7

About 2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum

2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum (PubChem CID 168843856) has the molecular formula C35H28N3OPt- and a molecular weight of 701.71 g/mol. Its IUPAC name is 2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum.

Molecular Properties

Compound Name2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum
PubChem CID168843856
Molecular FormulaC35H28N3OPt-
Molecular Weight701.71 g/mol
Exact Mass701.19
IUPAC Name2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum
SMILESCn1cc(-c2cc(-c3ccccc3)cc(C/C=C\Cc3cncc4ccccc34)c2O)nc1-c1[c-]cccc1.[Pt]
InChIInChI=1S/C35H28N3O.Pt/c1-38-24-33(37-35(38)26-14-6-3-7-15-26)32-21-30(25-12-4-2-5-13-25)20-27(34(32)39)16-8-9-17-28-22-36-23-29-18-10-11-19-31(28)29;/h2-14,18-24,39H,16-17H2,1H3;/q-1;/b9-8-;
InChIKeyFEIFNWZRRGXECF-UOQXYWCXSA-N
XLogP7.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.71
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum
CID 168843925
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum
CID 171732517
iridium;1-methyl-4-phenyl-2-phenylimidazole;2-phenylpyridine
CID 170539604
1-[1-(3,5-dimethylphenyl)benzimidazol-2-yl]-3-[(E)-4-(3-phenylnaphthalen-1-yl)but-2-enyl]naphthalen-2-ol
CID 168843828
2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;platinum(2+)
CID 153483659
iridium;2-methyl-3-phenyl-6-phenylpyridine
CID 58435059
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066
N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine
CID 112702946
4-[(isoquinolin-4-ylmethylamino)methyl]phenol
CID 115748371

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum?
The IUPAC name of 2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum (CID 168843856) is 2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum.
What is the SMILES notation for 2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum?
The canonical SMILES for 2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum is Cn1cc(-c2cc(-c3ccccc3)cc(C/C=C\Cc3cncc4ccccc34)c2O)nc1-c1[c-]cccc1.[Pt].
What is the InChIKey of 2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum?
The InChIKey is FEIFNWZRRGXECF-UOQXYWCXSA-N. The full InChI is InChI=1S/C35H28N3O.Pt/c1-38-24-33(37-35(38)26-14-6-3-7-15-26)32-21-30(25-12-4-2-5-13-25)20-27(34(32)39)16-8-9-17-28-22-36-23-29-18-10-11-19-31(28)29;/h2-14,18-24,39H,16-17H2,1H3;/q-1;/b9-8-;.
What are the key properties of 2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum?
2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum has a molecular weight of 701.71 g/mol, XLogP of 7.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum is sourced from PubChem (CID 168843856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).