1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane

C47H40GeIrN4O-2 — CID 170532029

IUPAC1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane
SMILESCc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1ccc2c(n1)oc1c[c-]c(-c3ccc([Ge](C)(C)C)cn3)cc12.[Ir]
InChIInChI=1S/C27H21N2.C20H19GeN2O.Ir/c1-19-17-23(21-11-5-3-6-12-21)18-20(2)26(19)29-25-16-10-9-15-24(25)28-27(29)22-13-7-4-8-14-22;1-13-5-8-16-17-11-14(6-10-19(17)24-20(16)23-13)18-9-7-15(12-22-18)21(2,3)4;/h3-13,15-18H,1-2H3;5,7-12H,1-4H3;/q2*-1;
InChIKeyYLVGZRNSTQTNRY-UHFFFAOYSA-N
MW941.69 g/mol
LogP11.47
Rot. Bonds5

About 1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane

1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane (PubChem CID 170532029) has the molecular formula C47H40GeIrN4O-2 and a molecular weight of 941.69 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane
PubChem CID170532029
Molecular FormulaC47H40GeIrN4O-2
Molecular Weight941.69 g/mol
Exact Mass943.21
IUPAC Name1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane
SMILESCc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1ccc2c(n1)oc1c[c-]c(-c3ccc([Ge](C)(C)C)cn3)cc12.[Ir]
InChIInChI=1S/C27H21N2.C20H19GeN2O.Ir/c1-19-17-23(21-11-5-3-6-12-21)18-20(2)26(19)29-25-16-10-9-15-24(25)28-27(29)22-13-7-4-8-14-22;1-13-5-8-16-17-11-14(6-10-19(17)24-20(16)23-13)18-9-7-15(12-22-18)21(2,3)4;/h3-13,15-18H,1-2H3;5,7-12H,1-4H3;/q2*-1;
InChIKeyYLVGZRNSTQTNRY-UHFFFAOYSA-N
XLogP11.47
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.69
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane with MolForge

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Related Compounds

6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156672335
iridium;2-methyl-6-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156671887
8-[1-(2,6-dimethyl-4-phenylphenyl)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 166499117
iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[8-(trideuteriomethyl)-3H-dibenzofuran-3-id-2-yl]benzimidazole;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 156657605
1-(2,6-dimethyl-4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]-9H-naphtho[1,2-b][1]benzothiol-9-id-10-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156659921
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670468
[6-[4-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156671630
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
iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane
CID 170532079
iridium;2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166499318
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156657608
iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668232

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane?
The IUPAC name of 1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane (CID 170532029) is 1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane.
What is the SMILES notation for 1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane?
The canonical SMILES for 1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane is Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1ccc2c(n1)oc1c[c-]c(-c3ccc([Ge](C)(C)C)cn3)cc12.[Ir].
What is the InChIKey of 1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane?
The InChIKey is YLVGZRNSTQTNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N2.C20H19GeN2O.Ir/c1-19-17-23(21-11-5-3-6-12-21)18-20(2)26(19)29-25-16-10-9-15-24(25)28-27(29)22-13-7-4-8-14-22;1-13-5-8-16-17-11-14(6-10-19(17)24-20(16)23-13)18-9-7-15(12-22-18)21(2,3)4;/h3-13,15-18H,1-2H3;5,7-12H,1-4H3;/q2*-1;.
What are the key properties of 1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane?
1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane has a molecular weight of 941.69 g/mol, XLogP of 11.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-phenylphenyl)-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]germane is sourced from PubChem (CID 170532029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).