1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+))

C102H72N12OPt2 — CID 160511662

IUPAC1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+))
SMILESCn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.[Pt+4].[Pt+4].[c-]1ccc(-c2ccccc2)cc1-c1ncco1.[c-]1ccccc1-c1cc(-c2ccccc2)n[n-]1.[c-]1ccccc1-c1nc(-c2ccccc2)n[n-]1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/2C21H15N2.C16H13N2.C15H10N2.C15H10NO.C14H9N3.2Pt/c2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;1-2-5-12(6-3-1)13-7-4-8-14(11-13)15-16-9-10-17-15;1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12;;/h2*1-9,11-16H;2-8,10-12H,1H3;1-9,11H;1-7,9-11H;1-9H;;/q3*-1;-2;-1;-2;2*+4
InChIKeyJIYLKQLOVJPBEO-UHFFFAOYSA-N
MW1871.94 g/mol
LogP23.11
Rot. Bonds14

About 1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+))

1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+)) (PubChem CID 160511662) has the molecular formula C102H72N12OPt2 and a molecular weight of 1871.94 g/mol. Its IUPAC name is 1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+)).

Molecular Properties

Compound Name1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+))
PubChem CID160511662
Molecular FormulaC102H72N12OPt2
Molecular Weight1871.94 g/mol
Exact Mass1870.52
IUPAC Name1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+))
SMILESCn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.[Pt+4].[Pt+4].[c-]1ccc(-c2ccccc2)cc1-c1ncco1.[c-]1ccccc1-c1cc(-c2ccccc2)n[n-]1.[c-]1ccccc1-c1nc(-c2ccccc2)n[n-]1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/2C21H15N2.C16H13N2.C15H10N2.C15H10NO.C14H9N3.2Pt/c2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;1-2-5-12(6-3-1)13-7-4-8-14(11-13)15-16-9-10-17-15;1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12;;/h2*1-9,11-16H;2-8,10-12H,1H3;1-9,11H;1-7,9-11H;1-9H;;/q3*-1;-2;-1;-2;2*+4
InChIKeyJIYLKQLOVJPBEO-UHFFFAOYSA-N
XLogP23.11
TPSA146.36 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms117
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001871.94
LogP ≤ 523.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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 1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+))?
The IUPAC name of 1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+)) (CID 160511662) is 1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+)).
What is the SMILES notation for 1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+))?
The canonical SMILES for 1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+)) is Cn1ccnc1-c1[c-]ccc(-c2ccccc2)c1.[Pt+4].[Pt+4].[c-]1ccc(-c2ccccc2)cc1-c1ncco1.[c-]1ccccc1-c1cc(-c2ccccc2)n[n-]1.[c-]1ccccc1-c1nc(-c2ccccc2)n[n-]1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of 1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+))?
The InChIKey is JIYLKQLOVJPBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15N2.C16H13N2.C15H10N2.C15H10NO.C14H9N3.2Pt/c2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;1-18-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;1-2-5-12(6-3-1)13-7-4-8-14(11-13)15-16-9-10-17-15;1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12;;/h2*1-9,11-16H;2-8,10-12H,1H3;1-9,11H;1-7,9-11H;1-9H;;/q3*-1;-2;-1;-2;2*+4.
What are the key properties of 1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+))?
1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+)) has a molecular weight of 1871.94 g/mol, XLogP of 23.11, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;2-(3-phenylbenzene-6-id-1-yl)-1,3-oxazole;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-phenylpyrazol-1-ide;bis(platinum(4+)) is sourced from PubChem (CID 160511662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).