bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)

C26H30N4Pt — CID 59661369

IUPACbis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)
SMILESCc1ccc[c-]c1-c1cn(C(C)C)cn1.Cc1ccc[c-]c1-c1cn(C(C)C)cn1.[Pt+2]
InChIInChI=1S/2C13H15N2.Pt/c2*1-10(2)15-8-13(14-9-15)12-7-5-4-6-11(12)3;/h2*4-6,8-10H,1-3H3;/q2*-1;+2
InChIKeySZUATTJMJGUCJI-UHFFFAOYSA-N
MW593.63 g/mol
LogP6.48
Rot. Bonds4

About bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)

bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+) (PubChem CID 59661369) has the molecular formula C26H30N4Pt and a molecular weight of 593.63 g/mol. Its IUPAC name is bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+).

Molecular Properties

Compound Namebis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)
PubChem CID59661369
Molecular FormulaC26H30N4Pt
Molecular Weight593.63 g/mol
Exact Mass593.21
IUPAC Namebis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)
SMILESCc1ccc[c-]c1-c1cn(C(C)C)cn1.Cc1ccc[c-]c1-c1cn(C(C)C)cn1.[Pt+2]
InChIInChI=1S/2C13H15N2.Pt/c2*1-10(2)15-8-13(14-9-15)12-7-5-4-6-11(12)3;/h2*4-6,8-10H,1-3H3;/q2*-1;+2
InChIKeySZUATTJMJGUCJI-UHFFFAOYSA-N
XLogP6.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.63
LogP ≤ 56.48
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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Related Compounds

Iridium(3+);bis(4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);1-methyl-4-(2-methylbenzene-6-id-1-yl)imidazole
CID 58401384
Bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
CID 59661443
1-(2-fluorocyclohexa-1,5-dien-1-yl)-4-[(E)-hept-3-en-4-yl]imidazole
CID 143163437
1-cyclopentyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
CID 14403478
5,8-Methanoimidazo[1,5-a]pyridine
CID 45092525
1-Cyclopentyl-5-(2,6-dimethylhepta-1,5-dienyl)imidazole
CID 53975668
CID 57759284
CID 57759284
CID 57759350
CID 57759350
CID 57759495
CID 57759495
1,2-Dimethyl-4-phenylimidazole;platinum
CID 58163099
Iridium(3+);tris(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole)
CID 58401336
Bis(1,5-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole);platinum(2+)
CID 58401570

Frequently Asked Questions

What is the IUPAC name of bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)?
The IUPAC name of bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+) (CID 59661369) is bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+).
What is the SMILES notation for bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)?
The canonical SMILES for bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+) is Cc1ccc[c-]c1-c1cn(C(C)C)cn1.Cc1ccc[c-]c1-c1cn(C(C)C)cn1.[Pt+2].
What is the InChIKey of bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)?
The InChIKey is SZUATTJMJGUCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N2.Pt/c2*1-10(2)15-8-13(14-9-15)12-7-5-4-6-11(12)3;/h2*4-6,8-10H,1-3H3;/q2*-1;+2.
What are the key properties of bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)?
bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+) has a molecular weight of 593.63 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+) is sourced from PubChem (CID 59661369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).