butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium

C21H24IrN2O-2 — CID 155610263

IUPACbutan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
SMILESCc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[CH2-]CC(C)O.[Ir]
InChIInChI=1S/C17H15N2.C4H9O.Ir/c1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-3-4(2)5;/h3-9,11-12H,1-2H3;4-5H,1,3H2,2H3;/q2*-1;
InChIKeyVNXYVEXLFGJSKT-UHFFFAOYSA-N
MW512.65 g/mol
LogP4.55
Rot. Bonds3

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

butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium (PubChem CID 155610263) has the molecular formula C21H24IrN2O-2 and a molecular weight of 512.65 g/mol. Its IUPAC name is butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium.

Molecular Properties

Compound Namebutan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
PubChem CID155610263
Molecular FormulaC21H24IrN2O-2
Molecular Weight512.65 g/mol
Exact Mass513.15
IUPAC Namebutan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
SMILESCc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[CH2-]CC(C)O.[Ir]
InChIInChI=1S/C17H15N2.C4H9O.Ir/c1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-3-4(2)5;/h3-9,11-12H,1-2H3;4-5H,1,3H2,2H3;/q2*-1;
InChIKeyVNXYVEXLFGJSKT-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.65
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 153499828
tris(1-[2-(2,6-dimethylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole);iridium(3+)
CID 86292659
1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium
CID 58750753
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
1,2-bis(2,6-dimethylphenyl)-3-pyridin-2-yl-4H-1,3,2-benzodiazaborol-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 156623127
1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium)
CID 159200980
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium?
The IUPAC name of butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium (CID 155610263) is butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium.
What is the SMILES notation for butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium?
The canonical SMILES for butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium is Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[CH2-]CC(C)O.[Ir].
What is the InChIKey of butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium?
The InChIKey is VNXYVEXLFGJSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N2.C4H9O.Ir/c1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-3-4(2)5;/h3-9,11-12H,1-2H3;4-5H,1,3H2,2H3;/q2*-1;.
What are the key properties of butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium?
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium has a molecular weight of 512.65 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium is sourced from PubChem (CID 155610263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).