2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane

C61H50GeIrN4O-2 — CID 156660745

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H19N2O.C30H31GeN2.Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-21(2)17-23-19-28(32-20-27(23)31(3,4)5)22-15-16-30-26(18-22)25-13-9-10-14-29(25)33(30)24-11-7-6-8-12-24;/h1-12,14-20H;6-14,16,18-21H,17H2,1-5H3;/q2*-1;
InChIKeyKKDXLWRLUYNXDA-UHFFFAOYSA-N
MW1119.92 g/mol
LogP15.45
Rot. Bonds8

About 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane

2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane (PubChem CID 156660745) has the molecular formula C61H50GeIrN4O-2 and a molecular weight of 1119.92 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane
PubChem CID156660745
Molecular FormulaC61H50GeIrN4O-2
Molecular Weight1119.92 g/mol
Exact Mass1121.28
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H19N2O.C30H31GeN2.Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-21(2)17-23-19-28(32-20-27(23)31(3,4)5)22-15-16-30-26(18-22)25-13-9-10-14-29(25)33(30)24-11-7-6-8-12-24;/h1-12,14-20H;6-14,16,18-21H,17H2,1-5H3;/q2*-1;
InChIKeyKKDXLWRLUYNXDA-UHFFFAOYSA-N
XLogP15.45
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.92
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane 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;1-(4-phenylphenyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660197
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660779
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 156659963
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,5-diphenylphenyl)benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658017
iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane
CID 170532049
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 167355244
2-(3H-dibenzofuran-3-id-4-yl)-6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 164825067
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 156659104
2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 170531906
iridium;3-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 166499378
1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane)
CID 158372535
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 156660550

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane (CID 156660745) is 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane?
The InChIKey is KKDXLWRLUYNXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N2O.C30H31GeN2.Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-21(2)17-23-19-28(32-20-27(23)31(3,4)5)22-15-16-30-26(18-22)25-13-9-10-14-29(25)33(30)24-11-7-6-8-12-24;/h1-12,14-20H;6-14,16,18-21H,17H2,1-5H3;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane?
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane has a molecular weight of 1119.92 g/mol, XLogP of 15.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane is sourced from PubChem (CID 156660745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).