bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)

C34H30N4Pt — CID 59661719

IUPACbis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)
SMILESCc1ccccc1-c1c[c-]c(-c2nccn2C)cc1.Cc1ccccc1-c1c[c-]c(-c2nccn2C)cc1.[Pt+2]
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;+2
InChIKeyHMIFYDPVJNZBQW-UHFFFAOYSA-N
MW689.72 g/mol
LogP7.72
Rot. Bonds4

About bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)

bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+) (PubChem CID 59661719) has the molecular formula C34H30N4Pt and a molecular weight of 689.72 g/mol. Its IUPAC name is bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+).

Molecular Properties

Compound Namebis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)
PubChem CID59661719
Molecular FormulaC34H30N4Pt
Molecular Weight689.72 g/mol
Exact Mass689.21
IUPAC Namebis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)
SMILESCc1ccccc1-c1c[c-]c(-c2nccn2C)cc1.Cc1ccccc1-c1c[c-]c(-c2nccn2C)cc1.[Pt+2]
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;+2
InChIKeyHMIFYDPVJNZBQW-UHFFFAOYSA-N
XLogP7.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.72
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)?
The IUPAC name of bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+) (CID 59661719) is bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+).
What is the SMILES notation for bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)?
The canonical SMILES for bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+) is Cc1ccccc1-c1c[c-]c(-c2nccn2C)cc1.Cc1ccccc1-c1c[c-]c(-c2nccn2C)cc1.[Pt+2].
What is the InChIKey of bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)?
The InChIKey is HMIFYDPVJNZBQW-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;+2.
What are the key properties of bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)?
bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+) has a molecular weight of 689.72 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+) is sourced from PubChem (CID 59661719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).