2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C59H56GeIrN4O-2 — CID 156667958

IUPAC2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cccc2oc3c[c-]c(-c4nc5ccccc5n4-c4c(-c5ccccc5)cc(C(C)(C)C)cc4-c4ccccc4)nc3c12.[Ir]
InChIInChI=1S/C41H32N3O.C18H24GeN.Ir/c1-26-14-13-21-35-37(26)38-36(45-35)23-22-33(42-38)40-43-32-19-11-12-20-34(32)44(40)39-30(27-15-7-5-8-16-27)24-29(41(2,3)4)25-31(39)28-17-9-6-10-18-28;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-21,23-25H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyZPQMOAFRWDSIAY-UHFFFAOYSA-N
MW1101.95 g/mol
LogP15.02
Rot. Bonds8

About 2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156667958) has the molecular formula C59H56GeIrN4O-2 and a molecular weight of 1101.95 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

Compound Name2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
PubChem CID156667958
Molecular FormulaC59H56GeIrN4O-2
Molecular Weight1101.95 g/mol
Exact Mass1103.33
IUPAC Name2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cccc2oc3c[c-]c(-c4nc5ccccc5n4-c4c(-c5ccccc5)cc(C(C)(C)C)cc4-c4ccccc4)nc3c12.[Ir]
InChIInChI=1S/C41H32N3O.C18H24GeN.Ir/c1-26-14-13-21-35-37(26)38-36(45-35)23-22-33(42-38)40-43-32-19-11-12-20-34(32)44(40)39-30(27-15-7-5-8-16-27)24-29(41(2,3)4)25-31(39)28-17-9-6-10-18-28;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-21,23-25H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyZPQMOAFRWDSIAY-UHFFFAOYSA-N
XLogP15.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.95
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-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

3-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 176644236
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670567
1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156660774
2-tert-butyl-5-methyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670478
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668337
2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 171435703
6-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670535
2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 162453206
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156668951
[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;1-(4-tert-butyl-2,6-diphenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
CID 156657753
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667971
1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166498981

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The IUPAC name of 2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156667958) is 2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.
What is the SMILES notation for 2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The canonical SMILES for 2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1cccc2oc3c[c-]c(-c4nc5ccccc5n4-c4c(-c5ccccc5)cc(C(C)(C)C)cc4-c4ccccc4)nc3c12.[Ir].
What is the InChIKey of 2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The InChIKey is ZPQMOAFRWDSIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N3O.C18H24GeN.Ir/c1-26-14-13-21-35-37(26)38-36(45-35)23-22-33(42-38)40-43-32-19-11-12-20-34(32)44(40)39-30(27-15-7-5-8-16-27)24-29(41(2,3)4)25-31(39)28-17-9-6-10-18-28;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-21,23-25H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1101.95 g/mol, XLogP of 15.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-9-methyl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156667958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).