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

C49H49F3GeIrN4O-2 — CID 156669055

IUPAC8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-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.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C31H25F3N3O.C18H24GeN.Ir/c1-17(2)19-9-7-10-20(18(3)4)27(19)37-25-14-6-5-13-24(25)35-29(37)23-12-8-11-21-22-15-16-26(31(32,33)34)36-30(22)38-28(21)23;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-11,13-18H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeySCYJJGAHYJVMSD-UHFFFAOYSA-N
MW1031.78 g/mol
LogP13.34
Rot. Bonds8

About 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-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-[2,6-di(propan-2-yl)phenyl]benzimidazol-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 156669055) has the molecular formula C49H49F3GeIrN4O-2 and a molecular weight of 1031.78 g/mol. Its IUPAC name is 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-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-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
PubChem CID156669055
Molecular FormulaC49H49F3GeIrN4O-2
Molecular Weight1031.78 g/mol
Exact Mass1033.27
IUPAC Name8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-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.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C31H25F3N3O.C18H24GeN.Ir/c1-17(2)19-9-7-10-20(18(3)4)27(19)37-25-14-6-5-13-24(25)35-29(37)23-12-8-11-21-22-15-16-26(31(32,33)34)36-30(22)38-28(21)23;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-11,13-18H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeySCYJJGAHYJVMSD-UHFFFAOYSA-N
XLogP13.34
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.78
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane with MolForge

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Related Compounds

[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
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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
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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
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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
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2,4-Difluoro-6-methyl-7-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
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8-[1-[2,6-Di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464287

Frequently Asked Questions

What is the IUPAC name of 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-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-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156669055) is 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-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-[2,6-di(propan-2-yl)phenyl]benzimidazol-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-[2,6-di(propan-2-yl)phenyl]benzimidazol-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.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir].
What is the InChIKey of 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-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 SCYJJGAHYJVMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N3O.C18H24GeN.Ir/c1-17(2)19-9-7-10-20(18(3)4)27(19)37-25-14-6-5-13-24(25)35-29(37)23-12-8-11-21-22-15-16-26(31(32,33)34)36-30(22)38-28(21)23;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-11,13-18H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-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-[2,6-di(propan-2-yl)phenyl]benzimidazol-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 1031.78 g/mol, XLogP of 13.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-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 156669055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).