iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine

C39H31IrN3-2 — CID 153426884

IUPACiridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
SMILESCC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2cccc(-c3ccccc3)c21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C28H23N2.C11H8N.Ir/c1-20(2)23-16-9-10-19-26(23)30-27-24(21-12-5-3-6-13-21)17-11-18-25(27)29-28(30)22-14-7-4-8-15-22;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-14,16-20H,1-2H3;1-6,8-9H;/q2*-1;
InChIKeyPRBJXEDTNXYPAJ-UHFFFAOYSA-N
MW733.92 g/mol
LogP9.83
Rot. Bonds5

About iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine

iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine (PubChem CID 153426884) has the molecular formula C39H31IrN3-2 and a molecular weight of 733.92 g/mol. Its IUPAC name is iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
PubChem CID153426884
Molecular FormulaC39H31IrN3-2
Molecular Weight733.92 g/mol
Exact Mass734.22
IUPAC Nameiridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
SMILESCC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2cccc(-c3ccccc3)c21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C28H23N2.C11H8N.Ir/c1-20(2)23-16-9-10-19-26(23)30-27-24(21-12-5-3-6-13-21)17-11-18-25(27)29-28(30)22-14-7-4-8-15-22;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-14,16-20H,1-2H3;1-6,8-9H;/q2*-1;
InChIKeyPRBJXEDTNXYPAJ-UHFFFAOYSA-N
XLogP9.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.92
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium;5-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
CID 153426870
tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine
CID 162040974
1-(2,6-diphenylphenyl)-5-phenyl-2-phenylbenzimidazole;iridium;2-phenylpyridine
CID 153426888
3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826378
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 167388065
iridium;2-methyl-3-phenyl-6-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 166495302
3-[2,6-di(propan-2-yl)phenyl]-4-phenyl-16-oxa-3,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,4,6,8,10,12,14-heptaene;3-[2,6-di(propan-2-yl)phenyl]-4-phenyl-16-oxa-3,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,4,6,8,10,12,14-heptaene;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonic acid
CID 159638761
iridium;1-methyl-4-phenyl-2-phenylimidazole;2-phenylpyridine
CID 170539604
iridium;2-(3H-phenanthren-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 164790859
CID 177271331
CID 177271331
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);iridium(3+);2-phenylpyridine
CID 170539461
iridium;5-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-20-phenyl-4-(2-propan-2-ylphenyl)-21-oxa-4,6,19-triazahexacyclo[9.6.5.02,10.03,7.012,17.018,22]docosa-2(10),3(7),5,8,12,14,16,18(22),19-nonaene;2-phenylpyridine
CID 176845132

Frequently Asked Questions

What is the IUPAC name of iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine?
The IUPAC name of iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine (CID 153426884) is iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine.
What is the SMILES notation for iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine?
The canonical SMILES for iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine is CC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2cccc(-c3ccccc3)c21.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine?
The InChIKey is PRBJXEDTNXYPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N2.C11H8N.Ir/c1-20(2)23-16-9-10-19-26(23)30-27-24(21-12-5-3-6-13-21)17-11-18-25(27)29-28(30)22-14-7-4-8-15-22;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-14,16-20H,1-2H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine?
iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine has a molecular weight of 733.92 g/mol, XLogP of 9.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine is sourced from PubChem (CID 153426884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).