2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum

C34H26N3OPt- — CID 168843880

IUPAC2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum
SMILESOc1c(C/C=C\Cc2cncc3ccccc23)cc(-c2ccccc2)cc1-c1c[nH]c(-c2[c-]cccc2)n1.[Pt]
InChIInChI=1S/C34H26N3O.Pt/c38-33-26(15-7-8-16-27-21-35-22-28-17-9-10-18-30(27)28)19-29(24-11-3-1-4-12-24)20-31(33)32-23-36-34(37-32)25-13-5-2-6-14-25;/h1-13,17-23,38H,15-16H2,(H,36,37);/q-1;/b8-7-;
InChIKeyBCJNLLOKUKNFAQ-CFYXSCKTSA-N
MW687.68 g/mol
LogP7.80
Rot. Bonds7

About 2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum

2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum (PubChem CID 168843880) has the molecular formula C34H26N3OPt- and a molecular weight of 687.68 g/mol. Its IUPAC name is 2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum.

Molecular Properties

Compound Name2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum
PubChem CID168843880
Molecular FormulaC34H26N3OPt-
Molecular Weight687.68 g/mol
Exact Mass687.17
IUPAC Name2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum
SMILESOc1c(C/C=C\Cc2cncc3ccccc23)cc(-c2ccccc2)cc1-c1c[nH]c(-c2[c-]cccc2)n1.[Pt]
InChIInChI=1S/C34H26N3O.Pt/c38-33-26(15-7-8-16-27-21-35-22-28-17-9-10-18-30(27)28)19-29(24-11-3-1-4-12-24)20-31(33)32-23-36-34(37-32)25-13-5-2-6-14-25;/h1-13,17-23,38H,15-16H2,(H,36,37);/q-1;/b8-7-;
InChIKeyBCJNLLOKUKNFAQ-CFYXSCKTSA-N
XLogP7.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.68
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-4-isoquinolin-4-ylbut-2-enyl]-6-(1-methyl-2-phenylimidazol-4-yl)-4-phenylphenol;platinum
CID 168843856
2-[1-(2,6-diphenylphenyl)-2-phenylimidazol-4-yl]-6-[[2-(isoquinolin-4-ylmethyl)phenyl]methyl]-4-phenylphenol;platinum
CID 168843925
isoquinolin-4-ylmethanethiol
CID 104505444
1-[1-(3,5-dimethylphenyl)benzimidazol-2-yl]-3-[(E)-4-(3-phenylnaphthalen-1-yl)but-2-enyl]naphthalen-2-ol
CID 168843828
2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+)
CID 155620139
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-4-ylphenyl)phenyl]phenyl]isoquinoline
CID 118582410
3-isoquinolin-4-yl-1-phenylpropan-1-ol
CID 64513744
4-(chloromethyl)isoquinoline;hydrochloride
CID 12746379
4-[4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]isoquinoline
CID 165168443
2-(3-phenylnaphthalen-1-yl)ethanamine
CID 22133309
4-[(isoquinolin-4-ylmethylamino)methyl]phenol
CID 115748371
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum?
The IUPAC name of 2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum (CID 168843880) is 2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum.
What is the SMILES notation for 2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum?
The canonical SMILES for 2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum is Oc1c(C/C=C\Cc2cncc3ccccc23)cc(-c2ccccc2)cc1-c1c[nH]c(-c2[c-]cccc2)n1.[Pt].
What is the InChIKey of 2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum?
The InChIKey is BCJNLLOKUKNFAQ-CFYXSCKTSA-N. The full InChI is InChI=1S/C34H26N3O.Pt/c38-33-26(15-7-8-16-27-21-35-22-28-17-9-10-18-30(27)28)19-29(24-11-3-1-4-12-24)20-31(33)32-23-36-34(37-32)25-13-5-2-6-14-25;/h1-13,17-23,38H,15-16H2,(H,36,37);/q-1;/b8-7-;.
What are the key properties of 2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum?
2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum has a molecular weight of 687.68 g/mol, XLogP of 7.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-isoquinolin-4-ylbut-2-enyl]-4-phenyl-6-(2-phenyl-1H-imidazol-4-yl)phenol;platinum is sourced from PubChem (CID 168843880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).