8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C44H39F3GeIrN4O-2 — CID 156667464

IUPAC8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.FC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[Ir]
InChIInChI=1S/C26H15F3N3O.C18H24GeN.Ir/c27-26(28,29)22-14-13-18-17-9-6-10-19(23(17)33-25(18)31-22)24-30-20-11-4-5-12-21(20)32(24)15-16-7-2-1-3-8-16;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-9,11-14H,15H2;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyLREKRYAZGHVMGO-UHFFFAOYSA-N
MW961.64 g/mol
LogP11.15
Rot. Bonds7

About 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156667464) has the molecular formula C44H39F3GeIrN4O-2 and a molecular weight of 961.64 g/mol. Its IUPAC name is 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

Compound Name8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
PubChem CID156667464
Molecular FormulaC44H39F3GeIrN4O-2
Molecular Weight961.64 g/mol
Exact Mass963.19
IUPAC Name8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.FC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[Ir]
InChIInChI=1S/C26H15F3N3O.C18H24GeN.Ir/c27-26(28,29)22-14-13-18-17-9-6-10-19(23(17)33-25(18)31-22)24-30-20-11-4-5-12-21(20)32(24)15-16-7-2-1-3-8-16;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-9,11-14H,15H2;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyLREKRYAZGHVMGO-UHFFFAOYSA-N
XLogP11.15
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.64
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid
CID 134611223
[2-Benzyl-4-[4-[[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 18687537
(3-Pyridin-3-ylpyrrolidin-1-yl)-[1-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanone
CID 46189978
[2-(1-Phenylethyl)-1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190121
[3-(5-Methylpyridin-3-yl)pyrrolidin-1-yl]-[2-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanone
CID 46190163
3-cyclopentyl-N-[1-[6-[5-[(dimethylamino)methyl]furan-2-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide
CID 58111243
CID 59358726
CID 59358726
(3-Pyridin-3-ylpyrrolidin-1-yl)-[1-pyridin-3-yl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanone
CID 67346446
N-[3-[(1S)-1-[5-(2-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-5-(trifluoromethyl)-1-benzofuran-2-yl]formamide
CID 88205843
5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(4-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118533404
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-imidazol-1-ylphenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118533411
5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-2-[4-(5-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 129013316

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156667464) is 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.
What is the SMILES notation for 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The canonical SMILES for 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.FC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[Ir].
What is the InChIKey of 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The InChIKey is LREKRYAZGHVMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F3N3O.C18H24GeN.Ir/c27-26(28,29)22-14-13-18-17-9-6-10-19(23(17)33-25(18)31-22)24-30-20-11-4-5-12-21(20)32(24)15-16-7-2-1-3-8-16;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-9,11-14H,15H2;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 961.64 g/mol, XLogP of 11.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156667464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).