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

C53H51F3GeIrN4O-2 — CID 156670778

IUPAC8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]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)c1cc2ccccc2c(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C35H27F3N3O.C18H24GeN.Ir/c1-19(2)26-18-21-10-5-6-11-22(21)30(20(3)4)31(26)41-28-15-8-7-14-27(28)39-33(41)25-13-9-12-23-24-16-17-29(35(36,37)38)40-34(24)42-32(23)25;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-12,14-20H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyJCQQAEAECZGPSK-UHFFFAOYSA-N
MW1081.84 g/mol
LogP14.50
Rot. Bonds8

About 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]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-[1,3-di(propan-2-yl)naphthalen-2-yl]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 156670778) has the molecular formula C53H51F3GeIrN4O-2 and a molecular weight of 1081.84 g/mol. Its IUPAC name is 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]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-[1,3-di(propan-2-yl)naphthalen-2-yl]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 CID156670778
Molecular FormulaC53H51F3GeIrN4O-2
Molecular Weight1081.84 g/mol
Exact Mass1083.29
IUPAC Name8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]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)c1cc2ccccc2c(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir]
InChIInChI=1S/C35H27F3N3O.C18H24GeN.Ir/c1-19(2)26-18-21-10-5-6-11-22(21)30(20(3)4)31(26)41-28-15-8-7-14-27(28)39-33(41)25-13-9-12-23-24-16-17-29(35(36,37)38)40-34(24)42-32(23)25;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-12,14-20H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyJCQQAEAECZGPSK-UHFFFAOYSA-N
XLogP14.50
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.84
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]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

9,13,17,19,23-Pentakis(trifluoromethyl)-18-oxa-3,12,14,22,24-pentazaheptacyclo[13.9.2.02,10.03,8.011,26.016,20.021,25]hexacosa-1,4,6,8,10,12,14,16,19,21,23,25-dodecaene
CID 72190663
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
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;platinum
CID 59359359
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
8-[1-(2,6-Diphenylphenyl)-3-methylbenzimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464379
8-[1-[2,6-Di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464426
2-Fluoro-7-methyl-8-[1-methyl-3-(2-phenylphenyl)benzimidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464436

Frequently Asked Questions

What is the IUPAC name of 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]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-[1,3-di(propan-2-yl)naphthalen-2-yl]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 156670778) is 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]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-[1,3-di(propan-2-yl)naphthalen-2-yl]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-[1,3-di(propan-2-yl)naphthalen-2-yl]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)c1cc2ccccc2c(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir].
What is the InChIKey of 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]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 JCQQAEAECZGPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27F3N3O.C18H24GeN.Ir/c1-19(2)26-18-21-10-5-6-11-22(21)30(20(3)4)31(26)41-28-15-8-7-14-27(28)39-33(41)25-13-9-12-23-24-16-17-29(35(36,37)38)40-34(24)42-32(23)25;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-12,14-20H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]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-[1,3-di(propan-2-yl)naphthalen-2-yl]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 1081.84 g/mol, XLogP of 14.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]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 156670778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).