1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium

C34H37IrN2- — CID 58175683

IUPAC1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium
SMILESCC(C)c1ccc(-c2cc(C3CCCC3)c(-n3ccnc3-c3[c-]cccc3)c(C3CCCC3)c2)cc1.[Ir]
InChIInChI=1S/C34H37N2.Ir/c1-24(2)25-16-18-26(19-17-25)30-22-31(27-10-6-7-11-27)33(32(23-30)28-12-8-9-13-28)36-21-20-35-34(36)29-14-4-3-5-15-29;/h3-5,14,16-24,27-28H,6-13H2,1-2H3;/q-1;
InChIKeyXNZFUPZTMRIZGF-UHFFFAOYSA-N
MW665.90 g/mol
LogP9.44
Rot. Bonds6

About 1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium

1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium (PubChem CID 58175683) has the molecular formula C34H37IrN2- and a molecular weight of 665.90 g/mol. Its IUPAC name is 1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium.

Molecular Properties

Compound Name1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium
PubChem CID58175683
Molecular FormulaC34H37IrN2-
Molecular Weight665.90 g/mol
Exact Mass666.26
IUPAC Name1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium
SMILESCC(C)c1ccc(-c2cc(C3CCCC3)c(-n3ccnc3-c3[c-]cccc3)c(C3CCCC3)c2)cc1.[Ir]
InChIInChI=1S/C34H37N2.Ir/c1-24(2)25-16-18-26(19-17-25)30-22-31(27-10-6-7-11-27)33(32(23-30)28-12-8-9-13-28)36-21-20-35-34(36)29-14-4-3-5-15-29;/h3-5,14,16-24,27-28H,6-13H2,1-2H3;/q-1;
InChIKeyXNZFUPZTMRIZGF-UHFFFAOYSA-N
XLogP9.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.90
LogP ≤ 59.44
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-(2,6-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-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
1-(2,6-dicyclopentyl-3-phenylphenyl)-2-phenylimidazole;iridium
CID 58175627
1-(1,3-dicyclohexyldibenzofuran-4-yl)-2-phenylimidazole;iridium
CID 58400909
1-(2,4-dicyclohexyldibenzofuran-1-yl)-2-phenylimidazole;iridium
CID 58401045
1-(2,4-dicyclohexyldibenzothiophen-3-yl)-2-phenylimidazole;iridium
CID 58401052
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)
CID 158336027
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-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);iridium(3+);2-phenylpyridine
CID 170539461
iridium;1-phenyl-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175662
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-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium?
The IUPAC name of 1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium (CID 58175683) is 1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium.
What is the SMILES notation for 1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium?
The canonical SMILES for 1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium is CC(C)c1ccc(-c2cc(C3CCCC3)c(-n3ccnc3-c3[c-]cccc3)c(C3CCCC3)c2)cc1.[Ir].
What is the InChIKey of 1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium?
The InChIKey is XNZFUPZTMRIZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N2.Ir/c1-24(2)25-16-18-26(19-17-25)30-22-31(27-10-6-7-11-27)33(32(23-30)28-12-8-9-13-28)36-21-20-35-34(36)29-14-4-3-5-15-29;/h3-5,14,16-24,27-28H,6-13H2,1-2H3;/q-1;.
What are the key properties of 1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium?
1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium has a molecular weight of 665.90 g/mol, XLogP of 9.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium is sourced from PubChem (CID 58175683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).