1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+))

C73H55N13OPt4S2 — CID 157159401

IUPAC1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+))
SMILESCn1cnc(-c2[c-]cccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cocn1.[c-]1ccccc1-c1cscn1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C10H9N2.4C9H7N2.C9H6NO.2C9H6NS.4Pt/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;4*1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2-4-8(5-3-1)9-6-11-7-10-9;1-2-4-8(5-3-1)9-10-6-7-11-9;;;;/h2-5,7-8H,1H3;4*1-5,7-8H;3*1-4,6-7H;;;;/q8*-1;4*+2
InChIKeyNDOWAIDMZCQIDI-UHFFFAOYSA-N
MW1974.78 g/mol
LogP15.93
Rot. Bonds8

About 1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+))

1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+)) (PubChem CID 157159401) has the molecular formula C73H55N13OPt4S2 and a molecular weight of 1974.78 g/mol. Its IUPAC name is 1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+)).

Molecular Properties

Compound Name1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+))
PubChem CID157159401
Molecular FormulaC73H55N13OPt4S2
Molecular Weight1974.78 g/mol
Exact Mass1973.27
IUPAC Name1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+))
SMILESCn1cnc(-c2[c-]cccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cocn1.[c-]1ccccc1-c1cscn1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C10H9N2.4C9H7N2.C9H6NO.2C9H6NS.4Pt/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;4*1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2-4-8(5-3-1)9-6-11-7-10-9;1-2-4-8(5-3-1)9-10-6-7-11-9;;;;/h2-5,7-8H,1H3;4*1-5,7-8H;3*1-4,6-7H;;;;/q8*-1;4*+2
InChIKeyNDOWAIDMZCQIDI-UHFFFAOYSA-N
XLogP15.93
TPSA140.91 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001974.78
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+))?
The IUPAC name of 1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+)) (CID 157159401) is 1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+)).
What is the SMILES notation for 1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+))?
The canonical SMILES for 1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+)) is Cn1cnc(-c2[c-]cccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cocn1.[c-]1ccccc1-c1cscn1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.
What is the InChIKey of 1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+))?
The InChIKey is NDOWAIDMZCQIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2.4C9H7N2.C9H6NO.2C9H6NS.4Pt/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;4*1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-2-4-8(5-3-1)9-6-11-7-10-9;1-2-4-8(5-3-1)9-10-6-7-11-9;;;;/h2-5,7-8H,1H3;4*1-5,7-8H;3*1-4,6-7H;;;;/q8*-1;4*+2.
What are the key properties of 1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+))?
1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+)) has a molecular weight of 1974.78 g/mol, XLogP of 15.93, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylimidazole;4-phenyl-1,3-oxazole;tetrakis(1-phenylpyrazole);2-phenyl-1,3-thiazole;4-phenyl-1,3-thiazole;tetrakis(platinum(2+)) is sourced from PubChem (CID 157159401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).