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

C43H37F3GeIrN4O-2 — CID 156669457

IUPACiridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;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(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.[Ir]
InChIInChI=1S/C25H13F3N3O.C18H24GeN.Ir/c26-25(27,28)21-14-13-17-16-9-6-10-18(22(16)32-24(17)30-21)23-29-19-11-4-5-12-20(19)31(23)15-7-2-1-3-8-15;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;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyBWERTOXFODGNDV-UHFFFAOYSA-N
MW947.62 g/mol
LogP11.10
Rot. Bonds6

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

iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156669457) has the molecular formula C43H37F3GeIrN4O-2 and a molecular weight of 947.62 g/mol. Its IUPAC name is iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

Compound Nameiridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
PubChem CID156669457
Molecular FormulaC43H37F3GeIrN4O-2
Molecular Weight947.62 g/mol
Exact Mass949.18
IUPAC Nameiridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;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(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.[Ir]
InChIInChI=1S/C25H13F3N3O.C18H24GeN.Ir/c26-25(27,28)21-14-13-17-16-9-6-10-18(22(16)32-24(17)30-21)23-29-19-11-4-5-12-20(19)31(23)15-7-2-1-3-8-15;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;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyBWERTOXFODGNDV-UHFFFAOYSA-N
XLogP11.10
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.62
LogP ≤ 511.10
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 iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The IUPAC name of iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156669457) is iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.
What is the SMILES notation for iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The canonical SMILES for iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;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(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.[Ir].
What is the InChIKey of iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The InChIKey is BWERTOXFODGNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13F3N3O.C18H24GeN.Ir/c26-25(27,28)21-14-13-17-16-9-6-10-18(22(16)32-24(17)30-21)23-29-19-11-4-5-12-20(19)31(23)15-7-2-1-3-8-15;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;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 947.62 g/mol, XLogP of 11.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;8-(1-phenylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156669457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).