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

C26H30N4Pt — CID 58401808

IUPACbis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)
SMILESCc1ccc[c-]c1-c1nccn1C(C)C.Cc1ccc[c-]c1-c1nccn1C(C)C.[Pt+2]
InChIInChI=1S/2C13H15N2.Pt/c2*1-10(2)15-9-8-14-13(15)12-7-5-4-6-11(12)3;/h2*4-6,8-10H,1-3H3;/q2*-1;+2
InChIKeyLVQYOFDWWOBNGA-UHFFFAOYSA-N
MW593.63 g/mol
LogP6.48
Rot. Bonds4

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

bis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+) (PubChem CID 58401808) has the molecular formula C26H30N4Pt and a molecular weight of 593.63 g/mol. Its IUPAC name is bis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+).

Molecular Properties

Compound Namebis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)
PubChem CID58401808
Molecular FormulaC26H30N4Pt
Molecular Weight593.63 g/mol
Exact Mass593.21
IUPAC Namebis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)
SMILESCc1ccc[c-]c1-c1nccn1C(C)C.Cc1ccc[c-]c1-c1nccn1C(C)C.[Pt+2]
InChIInChI=1S/2C13H15N2.Pt/c2*1-10(2)15-9-8-14-13(15)12-7-5-4-6-11(12)3;/h2*4-6,8-10H,1-3H3;/q2*-1;+2
InChIKeyLVQYOFDWWOBNGA-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

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
2-[2,4-Difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole
CID 102401857
14,20-Diethyl-15,19-dimethyl-11,23,27,28,30-pentaza-1,8-diazoniahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(26),2,4,6,8(29),9,12,14,16,18(27),19,21,24-tridecaene
CID 20816100
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;iridium
CID 57596180
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
CID 58162430
CID 58162430
CID 58162517
CID 58162517
Iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
CID 58163056

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)?
The IUPAC name of bis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+) (CID 58401808) is bis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+).
What is the SMILES notation for bis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)?
The canonical SMILES for bis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+) is Cc1ccc[c-]c1-c1nccn1C(C)C.Cc1ccc[c-]c1-c1nccn1C(C)C.[Pt+2].
What is the InChIKey of bis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)?
The InChIKey is LVQYOFDWWOBNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N2.Pt/c2*1-10(2)15-9-8-14-13(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(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)?
bis(2-(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(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+) is sourced from PubChem (CID 58401808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).