bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)

C36H34N4Pt — CID 58401397

IUPACbis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)
SMILESCc1ccccc1-c1c[c-]c(-c2ncn(C)c2C)cc1.Cc1ccccc1-c1c[c-]c(-c2ncn(C)c2C)cc1.[Pt+2]
InChIInChI=1S/2C18H17N2.Pt/c2*1-13-6-4-5-7-17(13)15-8-10-16(11-9-15)18-14(2)20(3)12-19-18;/h2*4-10,12H,1-3H3;/q2*-1;+2
InChIKeyBCCKUVGPPVDEMJ-UHFFFAOYSA-N
MW717.77 g/mol
LogP8.34
Rot. Bonds4

About bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)

bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+) (PubChem CID 58401397) has the molecular formula C36H34N4Pt and a molecular weight of 717.77 g/mol. Its IUPAC name is bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+).

Molecular Properties

Compound Namebis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)
PubChem CID58401397
Molecular FormulaC36H34N4Pt
Molecular Weight717.77 g/mol
Exact Mass717.24
IUPAC Namebis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)
SMILESCc1ccccc1-c1c[c-]c(-c2ncn(C)c2C)cc1.Cc1ccccc1-c1c[c-]c(-c2ncn(C)c2C)cc1.[Pt+2]
InChIInChI=1S/2C18H17N2.Pt/c2*1-13-6-4-5-7-17(13)15-8-10-16(11-9-15)18-14(2)20(3)12-19-18;/h2*4-10,12H,1-3H3;/q2*-1;+2
InChIKeyBCCKUVGPPVDEMJ-UHFFFAOYSA-N
XLogP8.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.77
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Diphenyl-1-[6-(4,5-diphenyl-1h-1-imidazolyl)hexyl]-1h-imidazole
CID 129796399
6,15-Diphenyl-3,9,12,18,19,21-hexaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(19),2,4,6,8,10(21),11,13,15,17-decaene;platinum(2+)
CID 57759664
Tris(1,5-dimethyl-4-(3-phenylbenzene-6-id-1-yl)imidazole);iridium(3+)
CID 58401248
bis(2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1-methylimidazole);platinum(2+)
CID 58401458
Bis(1-methyl-5-phenyl-4-phenylimidazole);platinum(2+)
CID 58401467
Iridium(3+);tris(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole)
CID 58401468
bis(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1,5-dimethylimidazole);platinum(2+)
CID 58401500
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
Bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);platinum(2+)
CID 58401722
tris(4-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-1-methylimidazole);iridium(3+)
CID 58401855
4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;platinum
CID 59348261
Bis(1-methyl-2-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)
CID 59661719

Frequently Asked Questions

What is the IUPAC name of bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)?
The IUPAC name of bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+) (CID 58401397) is bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+).
What is the SMILES notation for bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)?
The canonical SMILES for bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+) is Cc1ccccc1-c1c[c-]c(-c2ncn(C)c2C)cc1.Cc1ccccc1-c1c[c-]c(-c2ncn(C)c2C)cc1.[Pt+2].
What is the InChIKey of bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)?
The InChIKey is BCCKUVGPPVDEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H17N2.Pt/c2*1-13-6-4-5-7-17(13)15-8-10-16(11-9-15)18-14(2)20(3)12-19-18;/h2*4-10,12H,1-3H3;/q2*-1;+2.
What are the key properties of bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+)?
bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+) has a molecular weight of 717.77 g/mol, XLogP of 8.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,5-dimethyl-4-[4-(2-methylphenyl)benzene-6-id-1-yl]imidazole);platinum(2+) is sourced from PubChem (CID 58401397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).