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

C53H49F3GeIrN4O-2 — CID 156668848

IUPAC8-[1-(2-tert-butyl-4-phenylphenyl)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)(C)c1cc(-c2ccccc2)ccc1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C35H25F3N3O.C18H24GeN.Ir/c1-34(2,3)26-20-22(21-10-5-4-6-11-21)16-18-28(26)41-29-15-8-7-14-27(29)39-32(41)25-13-9-12-23-24-17-19-30(35(36,37)38)40-33(24)42-31(23)25;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-12,14-20H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeySZMMTPQKTLNCGJ-UHFFFAOYSA-N
MW1079.82 g/mol
LogP14.06
Rot. Bonds7

About 8-[1-(2-tert-butyl-4-phenylphenyl)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-tert-butyl-4-phenylphenyl)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 156668848) has the molecular formula C53H49F3GeIrN4O-2 and a molecular weight of 1079.82 g/mol. Its IUPAC name is 8-[1-(2-tert-butyl-4-phenylphenyl)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-tert-butyl-4-phenylphenyl)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 CID156668848
Molecular FormulaC53H49F3GeIrN4O-2
Molecular Weight1079.82 g/mol
Exact Mass1081.27
IUPAC Name8-[1-(2-tert-butyl-4-phenylphenyl)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)(C)c1cc(-c2ccccc2)ccc1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C35H25F3N3O.C18H24GeN.Ir/c1-34(2,3)26-20-22(21-10-5-4-6-11-21)16-18-28(26)41-29-15-8-7-14-27(29)39-32(41)25-13-9-12-23-24-17-19-30(35(36,37)38)40-33(24)42-31(23)25;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-12,14-20H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeySZMMTPQKTLNCGJ-UHFFFAOYSA-N
XLogP14.06
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.82
LogP ≤ 514.06
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-tert-butyl-4-phenylphenyl)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-(1-Phenylethyl)-1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190121
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
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium
CID 59358466
CID 59358726
CID 59358726
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
9-(8-Carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole
CID 134343668
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
2,5-Difluoro-7-methyl-8-[1-methyl-3-(2-propan-2-ylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464304
2,5-Difluoro-7-methyl-8-[1-methyl-3-(2-phenylphenyl)benzimidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464366

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-tert-butyl-4-phenylphenyl)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-tert-butyl-4-phenylphenyl)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 156668848) is 8-[1-(2-tert-butyl-4-phenylphenyl)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-tert-butyl-4-phenylphenyl)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-tert-butyl-4-phenylphenyl)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)(C)c1cc(-c2ccccc2)ccc1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].
What is the InChIKey of 8-[1-(2-tert-butyl-4-phenylphenyl)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 SZMMTPQKTLNCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F3N3O.C18H24GeN.Ir/c1-34(2,3)26-20-22(21-10-5-4-6-11-21)16-18-28(26)41-29-15-8-7-14-27(29)39-32(41)25-13-9-12-23-24-17-19-30(35(36,37)38)40-33(24)42-31(23)25;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-12,14-20H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 8-[1-(2-tert-butyl-4-phenylphenyl)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-tert-butyl-4-phenylphenyl)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 1079.82 g/mol, XLogP of 14.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-tert-butyl-4-phenylphenyl)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 156668848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).