bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)

C24H26N4Pt — CID 58401799

IUPACbis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
SMILESCc1c[c-]c(-c2cn(C)cn2)c(C)c1.Cc1c[c-]c(-c2cn(C)cn2)c(C)c1.[Pt+2]
InChIInChI=1S/2C12H13N2.Pt/c2*1-9-4-5-11(10(2)6-9)12-7-14(3)8-13-12;/h2*4,6-8H,1-3H3;/q2*-1;+2
InChIKeyMIIKCAYTDLYRGQ-UHFFFAOYSA-N
MW565.58 g/mol
LogP5.01
Rot. Bonds2

About bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)

bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+) (PubChem CID 58401799) has the molecular formula C24H26N4Pt and a molecular weight of 565.58 g/mol. Its IUPAC name is bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+).

Molecular Properties

Compound Namebis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
PubChem CID58401799
Molecular FormulaC24H26N4Pt
Molecular Weight565.58 g/mol
Exact Mass565.18
IUPAC Namebis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
SMILESCc1c[c-]c(-c2cn(C)cn2)c(C)c1.Cc1c[c-]c(-c2cn(C)cn2)c(C)c1.[Pt+2]
InChIInChI=1S/2C12H13N2.Pt/c2*1-9-4-5-11(10(2)6-9)12-7-14(3)8-13-12;/h2*4,6-8H,1-3H3;/q2*-1;+2
InChIKeyMIIKCAYTDLYRGQ-UHFFFAOYSA-N
XLogP5.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.58
LogP ≤ 55.01
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

2,4-bis(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413501
3-[2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413517
3-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413532
3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]-2,6-difluoro-4H-pyridin-4-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413534
3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413539
CID 167413549
CID 167413549
1-Methyl-4-phenylimidazole;1-phenylpyrazole;platinum(2+)
CID 57729473
Iridium;1-methyl-4-phenylimidazole;1-phenylpyrazole
CID 57729500
Platinum(2+);4,8,13,17-tetramethyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene
CID 57759692
1,2-Dimethyl-4-phenylimidazole;platinum
CID 58163099
Bis(2-tert-butyl-1-methyl-4-phenylimidazole);difluoroiridium(1+);iridium
CID 58163247
Iridium(3+);tris(4-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole)
CID 58401336

Frequently Asked Questions

What is the IUPAC name of bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)?
The IUPAC name of bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+) (CID 58401799) is bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+).
What is the SMILES notation for bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)?
The canonical SMILES for bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+) is Cc1c[c-]c(-c2cn(C)cn2)c(C)c1.Cc1c[c-]c(-c2cn(C)cn2)c(C)c1.[Pt+2].
What is the InChIKey of bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)?
The InChIKey is MIIKCAYTDLYRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N2.Pt/c2*1-9-4-5-11(10(2)6-9)12-7-14(3)8-13-12;/h2*4,6-8H,1-3H3;/q2*-1;+2.
What are the key properties of bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)?
bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+) has a molecular weight of 565.58 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+) is sourced from PubChem (CID 58401799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).