iridium;1-naphthalen-1-yl-2-phenylimidazole

C19H13IrN2- — CID 58113418

IUPACiridium;1-naphthalen-1-yl-2-phenylimidazole
SMILES[Ir].[c-]1ccccc1-c1nccn1-c1cccc2ccccc12
InChIInChI=1S/C19H13N2.Ir/c1-2-8-16(9-3-1)19-20-13-14-21(19)18-12-6-10-15-7-4-5-11-17(15)18;/h1-8,10-14H;/q-1;
InChIKeyQUOBVQZRWUFJNB-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.49
Rot. Bonds2

About iridium;1-naphthalen-1-yl-2-phenylimidazole

iridium;1-naphthalen-1-yl-2-phenylimidazole (PubChem CID 58113418) has the molecular formula C19H13IrN2- and a molecular weight of 461.54 g/mol. Its IUPAC name is iridium;1-naphthalen-1-yl-2-phenylimidazole.

Molecular Properties

Compound Nameiridium;1-naphthalen-1-yl-2-phenylimidazole
PubChem CID58113418
Molecular FormulaC19H13IrN2-
Molecular Weight461.54 g/mol
Exact Mass462.07
IUPAC Nameiridium;1-naphthalen-1-yl-2-phenylimidazole
SMILES[Ir].[c-]1ccccc1-c1nccn1-c1cccc2ccccc12
InChIInChI=1S/C19H13N2.Ir/c1-2-8-16(9-3-1)19-20-13-14-21(19)18-12-6-10-15-7-4-5-11-17(15)18;/h1-8,10-14H;/q-1;
InChIKeyQUOBVQZRWUFJNB-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
CID 140663295
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
CID 155610263
iridium(3+);tris(1-(4-methoxyphenyl)-2-phenylimidazole)
CID 59348298
1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 59546936
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
CID 58947249
iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole
CID 58401026
1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-2-phenylimidazole;iridium
CID 58400900
1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-2-phenylimidazole;iridium
CID 58400950
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;iridium
CID 58400868

Frequently Asked Questions

What is the IUPAC name of iridium;1-naphthalen-1-yl-2-phenylimidazole?
The IUPAC name of iridium;1-naphthalen-1-yl-2-phenylimidazole (CID 58113418) is iridium;1-naphthalen-1-yl-2-phenylimidazole.
What is the SMILES notation for iridium;1-naphthalen-1-yl-2-phenylimidazole?
The canonical SMILES for iridium;1-naphthalen-1-yl-2-phenylimidazole is [Ir].[c-]1ccccc1-c1nccn1-c1cccc2ccccc12.
What is the InChIKey of iridium;1-naphthalen-1-yl-2-phenylimidazole?
The InChIKey is QUOBVQZRWUFJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N2.Ir/c1-2-8-16(9-3-1)19-20-13-14-21(19)18-12-6-10-15-7-4-5-11-17(15)18;/h1-8,10-14H;/q-1;.
What are the key properties of iridium;1-naphthalen-1-yl-2-phenylimidazole?
iridium;1-naphthalen-1-yl-2-phenylimidazole has a molecular weight of 461.54 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-naphthalen-1-yl-2-phenylimidazole is sourced from PubChem (CID 58113418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).