3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+))

C86H63N6OPt4S+ — CID 159300782

IUPAC3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+))
SMILESCN1[CH-]N(c2[c-]cccc2)C=C1c1ccc(-c2ccccc2)cc1.Cn1nc(-c2[c-]cccc2)cc1-c1ccc(-c2ccccc2)cc1.[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)on1.[c-]1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)sn1
InChIInChI=1S/C22H18N2.C22H17N2.C21H14NO.C21H14NS.4Pt/c1-23-17-24(21-10-6-3-7-11-21)16-22(23)20-14-12-19(13-15-20)18-8-4-2-5-9-18;1-24-22(16-21(23-24)19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17;2*1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(22-23-21)18-9-5-2-6-10-18;;;;/h2-10,12-17H,1H3;2-10,12-16H,1H3;2*1-9,11-15H;;;;/q-2;3*-1;;3*+2
InChIKeySRWXODZHZGTAGQ-UHFFFAOYSA-N
MW2008.87 g/mol
LogP21.65
Rot. Bonds12

About 3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+))

3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+)) (PubChem CID 159300782) has the molecular formula C86H63N6OPt4S+ and a molecular weight of 2008.87 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+)).

Molecular Properties

Compound Name3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+))
PubChem CID159300782
Molecular FormulaC86H63N6OPt4S+
Molecular Weight2008.87 g/mol
Exact Mass2007.34
IUPAC Name3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+))
SMILESCN1[CH-]N(c2[c-]cccc2)C=C1c1ccc(-c2ccccc2)cc1.Cn1nc(-c2[c-]cccc2)cc1-c1ccc(-c2ccccc2)cc1.[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)on1.[c-]1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)sn1
InChIInChI=1S/C22H18N2.C22H17N2.C21H14NO.C21H14NS.4Pt/c1-23-17-24(21-10-6-3-7-11-21)16-22(23)20-14-12-19(13-15-20)18-8-4-2-5-9-18;1-24-22(16-21(23-24)19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17;2*1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(22-23-21)18-9-5-2-6-10-18;;;;/h2-10,12-17H,1H3;2-10,12-16H,1H3;2*1-9,11-15H;;;;/q-2;3*-1;;3*+2
InChIKeySRWXODZHZGTAGQ-UHFFFAOYSA-N
XLogP21.65
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms98
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002008.87
LogP ≤ 521.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+))?
The IUPAC name of 3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+)) (CID 159300782) is 3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+)).
What is the SMILES notation for 3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+))?
The canonical SMILES for 3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+)) is CN1[CH-]N(c2[c-]cccc2)C=C1c1ccc(-c2ccccc2)cc1.Cn1nc(-c2[c-]cccc2)cc1-c1ccc(-c2ccccc2)cc1.[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)on1.[c-]1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)sn1.
What is the InChIKey of 3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+))?
The InChIKey is SRWXODZHZGTAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2.C22H17N2.C21H14NO.C21H14NS.4Pt/c1-23-17-24(21-10-6-3-7-11-21)16-22(23)20-14-12-19(13-15-20)18-8-4-2-5-9-18;1-24-22(16-21(23-24)19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17;2*1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(22-23-21)18-9-5-2-6-10-18;;;;/h2-10,12-17H,1H3;2-10,12-16H,1H3;2*1-9,11-15H;;;;/q-2;3*-1;;3*+2.
What are the key properties of 3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+))?
3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+)) has a molecular weight of 2008.87 g/mol, XLogP of 21.65, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+)) is sourced from PubChem (CID 159300782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).