1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum

C34H30N4Pt-2 — CID 58401691

IUPAC1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum
SMILESCc1ccccc1-c1c[c-]c(-c2[n-]cc[n+]2C)cc1.Cc1ccccc1-c1c[c-]c(-c2nccn2C)cc1.[Pt]
InChIInChI=1S/2C17H15N2.Pt/c2*1-13-5-3-4-6-16(13)14-7-9-15(10-8-14)17-18-11-12-19(17)2;/h2*3-9,11-12H,1-2H3;/q2*-1;
InChIKeyIYADXXQNJYEMTL-UHFFFAOYSA-N
MW689.72 g/mol
LogP6.77
Rot. Bonds4

About 1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum

1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum (PubChem CID 58401691) has the molecular formula C34H30N4Pt-2 and a molecular weight of 689.72 g/mol. Its IUPAC name is 1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum.

Molecular Properties

Compound Name1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum
PubChem CID58401691
Molecular FormulaC34H30N4Pt-2
Molecular Weight689.72 g/mol
Exact Mass689.21
IUPAC Name1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum
SMILESCc1ccccc1-c1c[c-]c(-c2[n-]cc[n+]2C)cc1.Cc1ccccc1-c1c[c-]c(-c2nccn2C)cc1.[Pt]
InChIInChI=1S/2C17H15N2.Pt/c2*1-13-5-3-4-6-16(13)14-7-9-15(10-8-14)17-18-11-12-19(17)2;/h2*3-9,11-12H,1-2H3;/q2*-1;
InChIKeyIYADXXQNJYEMTL-UHFFFAOYSA-N
XLogP6.77
TPSA35.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.72
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum?
The IUPAC name of 1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum (CID 58401691) is 1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum.
What is the SMILES notation for 1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum?
The canonical SMILES for 1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum is Cc1ccccc1-c1c[c-]c(-c2[n-]cc[n+]2C)cc1.Cc1ccccc1-c1c[c-]c(-c2nccn2C)cc1.[Pt].
What is the InChIKey of 1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum?
The InChIKey is IYADXXQNJYEMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15N2.Pt/c2*1-13-5-3-4-6-16(13)14-7-9-15(10-8-14)17-18-11-12-19(17)2;/h2*3-9,11-12H,1-2H3;/q2*-1;.
What are the key properties of 1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum?
1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum has a molecular weight of 689.72 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole;1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazol-1-ium-3-ide;platinum is sourced from PubChem (CID 58401691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).