8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane

C48H48F3GeIrN5O-2 — CID 156668062

IUPAC8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2c(C(C)C)cncc21.Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir]
InChIInChI=1S/C33H30F3N4O.C15H18GeN.Ir/c1-17(2)20-9-7-10-21(18(3)4)29(20)40-26-16-37-15-25(19(5)6)28(26)39-31(40)24-12-8-11-22-23-13-14-27(33(34,35)36)38-32(23)41-30(22)24;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h7-11,13-19H,1-6H3;5-7,9-11H,1-4H3;/q2*-1;
InChIKeyAHWAHQMNAPARSO-UHFFFAOYSA-N
MW1032.77 g/mol
LogP12.97
Rot. Bonds7

About 8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane

8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 156668062) has the molecular formula C48H48F3GeIrN5O-2 and a molecular weight of 1032.77 g/mol. Its IUPAC name is 8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

Compound Name8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
PubChem CID156668062
Molecular FormulaC48H48F3GeIrN5O-2
Molecular Weight1032.77 g/mol
Exact Mass1034.27
IUPAC Name8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2c(C(C)C)cncc21.Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir]
InChIInChI=1S/C33H30F3N4O.C15H18GeN.Ir/c1-17(2)20-9-7-10-21(18(3)4)29(20)40-26-16-37-15-25(19(5)6)28(26)39-31(40)24-12-8-11-22-23-13-14-27(33(34,35)36)38-32(23)41-30(22)24;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h7-11,13-19H,1-6H3;5-7,9-11H,1-4H3;/q2*-1;
InChIKeyAHWAHQMNAPARSO-UHFFFAOYSA-N
XLogP12.97
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.77
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-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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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]-N-methyl-2-[4-(5-methylimidazol-1-yl)phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 129013316
CID 140826560
CID 140826560
8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine;iridium
CID 140826668
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
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
8-[1-[2,6-Di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464472
2,5-Difluoro-7-methyl-8-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464500
2,5-Difluoro-7-methyl-8-(1-methyl-3-phenylimidazol-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 153464540

Frequently Asked Questions

What is the IUPAC name of 8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?
The IUPAC name of 8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 156668062) is 8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.
What is the SMILES notation for 8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?
The canonical SMILES for 8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2c(C(C)C)cncc21.Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir].
What is the InChIKey of 8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?
The InChIKey is AHWAHQMNAPARSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N4O.C15H18GeN.Ir/c1-17(2)20-9-7-10-21(18(3)4)29(20)40-26-16-37-15-25(19(5)6)28(26)39-31(40)24-12-8-11-22-23-13-14-27(33(34,35)36)38-32(23)41-30(22)24;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h7-11,13-19H,1-6H3;5-7,9-11H,1-4H3;/q2*-1;.
What are the key properties of 8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?
8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 1032.77 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[2,6-di(propan-2-yl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 156668062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).