1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium

C31H31IrN2- — CID 58175627

IUPAC1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium
SMILES[Ir].[c-]1ccccc1-c1nccn1-c1c(C2CCCC2)ccc(-c2ccccc2)c1C1CCCC1
InChIInChI=1S/C31H31N2.Ir/c1-3-11-23(12-4-1)27-19-20-28(24-13-7-8-14-24)30(29(27)25-15-9-10-16-25)33-22-21-32-31(33)26-17-5-2-6-18-26;/h1-6,11-12,17,19-22,24-25H,7-10,13-16H2;/q-1;
InChIKeyCFULOZIUCWLCBX-UHFFFAOYSA-N
MW623.82 g/mol
LogP8.32
Rot. Bonds5

About 1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium

1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium (PubChem CID 58175627) has the molecular formula C31H31IrN2- and a molecular weight of 623.82 g/mol. Its IUPAC name is 1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium.

Molecular Properties

Compound Name1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium
PubChem CID58175627
Molecular FormulaC31H31IrN2-
Molecular Weight623.82 g/mol
Exact Mass624.21
IUPAC Name1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium
SMILES[Ir].[c-]1ccccc1-c1nccn1-c1c(C2CCCC2)ccc(-c2ccccc2)c1C1CCCC1
InChIInChI=1S/C31H31N2.Ir/c1-3-11-23(12-4-1)27-19-20-28(24-13-7-8-14-24)30(29(27)25-15-9-10-16-25)33-22-21-32-31(33)26-17-5-2-6-18-26;/h1-6,11-12,17,19-22,24-25H,7-10,13-16H2;/q-1;
InChIKeyCFULOZIUCWLCBX-UHFFFAOYSA-N
XLogP8.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.82
LogP ≤ 58.32
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

1-(2,4-dicyclohexyldibenzothiophen-3-yl)-2-phenylimidazole;iridium
CID 58401052
1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium
CID 58175683
1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[4-(3,5-diphenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 162032684
1-[2,6-bis(2-bicyclo[2.2.2]octanyl)phenyl]-2-phenylimidazole;1-[2,6-bis(2,6-dimethylphenyl)-4-phenylphenyl]-2-phenylimidazole;1-(2,6-dicyclohexyl-3-phenylphenyl)-2-phenylimidazole;bis(1-(2,6-diphenylphenyl)-2-phenylimidazole);1-[2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;1-(2-ethyl-6-propan-2-ylphenyl)-2-phenylimidazole;pentakis(iridium);methane;tris(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
CID 161392656
1-(1,3-dicyclohexyldibenzofuran-4-yl)-2-phenylimidazole;iridium
CID 58400909
1-(2,4-dicyclohexyldibenzofuran-1-yl)-2-phenylimidazole;iridium
CID 58401045
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
CID 157303526
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
iridium(3+);tris(1-(2-pentan-2-yl-6-phenylphenyl)-2-phenylimidazole)
CID 86292853
1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
CID 58947249

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium?
The IUPAC name of 1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium (CID 58175627) is 1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium.
What is the SMILES notation for 1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium?
The canonical SMILES for 1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium is [Ir].[c-]1ccccc1-c1nccn1-c1c(C2CCCC2)ccc(-c2ccccc2)c1C1CCCC1.
What is the InChIKey of 1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium?
The InChIKey is CFULOZIUCWLCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N2.Ir/c1-3-11-23(12-4-1)27-19-20-28(24-13-7-8-14-24)30(29(27)25-15-9-10-16-25)33-22-21-32-31(33)26-17-5-2-6-18-26;/h1-6,11-12,17,19-22,24-25H,7-10,13-16H2;/q-1;.
What are the key properties of 1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium?
1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium has a molecular weight of 623.82 g/mol, XLogP of 8.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium is sourced from PubChem (CID 58175627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).