bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)

C36H34N4Pt — CID 59661679

IUPACbis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)
SMILESCc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1C.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1C.[Pt+2]
InChIInChI=1S/2C18H17N2.Pt/c2*1-13-8-7-9-14(2)17(13)16-12-19-18(20(16)3)15-10-5-4-6-11-15;/h2*4-10,12H,1-3H3;/q2*-1;+2
InChIKeyNCCDOTMWWYCCRT-UHFFFAOYSA-N
MW717.77 g/mol
LogP8.34
Rot. Bonds4

About bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)

bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+) (PubChem CID 59661679) has the molecular formula C36H34N4Pt and a molecular weight of 717.77 g/mol. Its IUPAC name is bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+).

Molecular Properties

Compound Namebis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)
PubChem CID59661679
Molecular FormulaC36H34N4Pt
Molecular Weight717.77 g/mol
Exact Mass717.24
IUPAC Namebis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)
SMILESCc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1C.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1C.[Pt+2]
InChIInChI=1S/2C18H17N2.Pt/c2*1-13-8-7-9-14(2)17(13)16-12-19-18(20(16)3)15-10-5-4-6-11-15;/h2*4-10,12H,1-3H3;/q2*-1;+2
InChIKeyNCCDOTMWWYCCRT-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'}

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Related Compounds

iridium;5-methoxy-1-methyl-2-phenylimidazole
CID 58769486
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
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CID 86292659
2-[5-(2,6-dimethylphenyl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6-(6-phenyl-2-pyridinyl)phenol;platinum
CID 156666168
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CID 140582460
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
CID 155610263
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
CID 140663295
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
iridium;1-naphthalen-1-yl-2-phenylimidazole
CID 58113418
1-cyclohexyl-5-methyl-2-phenylimidazole;iridium
CID 58162897
3-[3-(4-cyclohexylphenyl)benzene-6-id-1-yl]isoquinoline;iridium;1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole
CID 170539613

Frequently Asked Questions

What is the IUPAC name of bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)?
The IUPAC name of bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+) (CID 59661679) is bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+).
What is the SMILES notation for bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)?
The canonical SMILES for bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+) is Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1C.Cc1cccc(C)c1-c1cnc(-c2[c-]cccc2)n1C.[Pt+2].
What is the InChIKey of bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)?
The InChIKey is NCCDOTMWWYCCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H17N2.Pt/c2*1-13-8-7-9-14(2)17(13)16-12-19-18(20(16)3)15-10-5-4-6-11-15;/h2*4-10,12H,1-3H3;/q2*-1;+2.
What are the key properties of bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)?
bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);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(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+) is sourced from PubChem (CID 59661679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).