1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+)

C21H21N4Pt+ — CID 58401579

IUPAC1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+)
SMILESCC1=NC(c2[c-]cccc2)[N+](C)=C1.Cn1ccnc1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C11H12N2.C10H9N2.Pt/c1-9-8-13(2)11(12-9)10-6-4-3-5-7-10;1-12-8-7-11-10(12)9-5-3-2-4-6-9;/h3-6,8,11H,1-2H3;2-5,7-8H,1H3;/q;-1;+2
InChIKeyWZYFYPACDLLNAC-UHFFFAOYSA-N
MW524.51 g/mol
LogP3.56
Rot. Bonds2

About 1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+)

1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+) (PubChem CID 58401579) has the molecular formula C21H21N4Pt+ and a molecular weight of 524.51 g/mol. Its IUPAC name is 1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+).

Molecular Properties

Compound Name1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+)
PubChem CID58401579
Molecular FormulaC21H21N4Pt+
Molecular Weight524.51 g/mol
Exact Mass524.14
IUPAC Name1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+)
SMILESCC1=NC(c2[c-]cccc2)[N+](C)=C1.Cn1ccnc1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C11H12N2.C10H9N2.Pt/c1-9-8-13(2)11(12-9)10-6-4-3-5-7-10;1-12-8-7-11-10(12)9-5-3-2-4-6-9;/h3-6,8,11H,1-2H3;2-5,7-8H,1H3;/q;-1;+2
InChIKeyWZYFYPACDLLNAC-UHFFFAOYSA-N
XLogP3.56
TPSA33.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
CID 59661470
5-(1-methylimidazol-2-yl)-2H-benzimidazole
CID 134947084
5,8-Methanoimidazo[1,2-A]pyridine
CID 45087413
Iridium;1-methyl-2-phenylimidazole;1-phenyl-1,2,4-triazole
CID 57596125
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
Iridium;1-methyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole
CID 57596149
Iridium;1-methyl-2-phenylimidazole
CID 57596182
3-(1-methylimidazol-2-yl)-2H-pyridin-2-ide;platinum
CID 57746156
Iridium;2-phenyl-1-propan-2-ylimidazole
CID 57873973
Iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
CID 58163056
1-Methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)
CID 58163118
iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide
CID 58220024

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+)?
The IUPAC name of 1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+) (CID 58401579) is 1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+).
What is the SMILES notation for 1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+)?
The canonical SMILES for 1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+) is CC1=NC(c2[c-]cccc2)[N+](C)=C1.Cn1ccnc1-c1[c-]cccc1.[Pt+2].
What is the InChIKey of 1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+)?
The InChIKey is WZYFYPACDLLNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C10H9N2.Pt/c1-9-8-13(2)11(12-9)10-6-4-3-5-7-10;1-12-8-7-11-10(12)9-5-3-2-4-6-9;/h3-6,8,11H,1-2H3;2-5,7-8H,1H3;/q;-1;+2.
What are the key properties of 1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+)?
1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+) has a molecular weight of 524.51 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+) is sourced from PubChem (CID 58401579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).