1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline

C32H25IrN3-2 — CID 140663295

IUPAC1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
SMILESCc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C17H15N2.C15H10N.Ir/c1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h3-9,11-12H,1-2H3;1-6,8-11H;/q2*-1;
InChIKeyBCFGINKIZDOCGR-UHFFFAOYSA-N
MW643.79 g/mol
LogP7.66
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline

1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline (PubChem CID 140663295) has the molecular formula C32H25IrN3-2 and a molecular weight of 643.79 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
PubChem CID140663295
Molecular FormulaC32H25IrN3-2
Molecular Weight643.79 g/mol
Exact Mass644.17
IUPAC Name1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
SMILESCc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C17H15N2.C15H10N.Ir/c1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h3-9,11-12H,1-2H3;1-6,8-11H;/q2*-1;
InChIKeyBCFGINKIZDOCGR-UHFFFAOYSA-N
XLogP7.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.79
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
CID 155610263
carbanide;iridium;2-phenylquinoline;yttrium
CID 59824492
carbanide;2-phenylquinoline;platinum
CID 21044184
1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium
CID 58750753
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
CID 58947249
1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 59546936
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);iridium(3+);2-phenylpyridine
CID 170539461
iridium;1-naphthalen-1-yl-2-phenylimidazole
CID 58113418
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazole);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);1-phenylisoquinoline;bis(2-phenylquinoline)
CID 158857908
tris(1-[2-(2,6-dimethylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole);iridium(3+)
CID 86292659

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline?
The IUPAC name of 1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline (CID 140663295) is 1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline is Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline?
The InChIKey is BCFGINKIZDOCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N2.C15H10N.Ir/c1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h3-9,11-12H,1-2H3;1-6,8-11H;/q2*-1;.
What are the key properties of 1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline?
1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline has a molecular weight of 643.79 g/mol, XLogP of 7.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline is sourced from PubChem (CID 140663295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).