8-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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

C49H49F3GeIrN4O-2 — CID 156668575

IUPAC8-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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)cccc21.Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir]
InChIInChI=1S/C34H31F3N3O.C15H18GeN.Ir/c1-18(2)21-10-9-15-27-29(21)39-32(40(27)30-22(19(3)4)11-7-12-23(30)20(5)6)26-14-8-13-24-25-16-17-28(34(35,36)37)38-33(25)41-31(24)26;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h7-13,15-20H,1-6H3;5-7,9-11H,1-4H3;/q2*-1;
InChIKeyVXHAYKLDVSEUPE-UHFFFAOYSA-N
MW1031.78 g/mol
LogP13.58
Rot. Bonds7

About 8-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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 156668575) 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]-4-propan-2-ylbenzimidazol-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-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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 CID156668575
Molecular FormulaC49H49F3GeIrN4O-2
Molecular Weight1031.78 g/mol
Exact Mass1033.27
IUPAC Name8-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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)cccc21.Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir]
InChIInChI=1S/C34H31F3N3O.C15H18GeN.Ir/c1-18(2)21-10-9-15-27-29(21)39-32(40(27)30-22(19(3)4)11-7-12-23(30)20(5)6)26-14-8-13-24-25-16-17-28(34(35,36)37)38-33(25)41-31(24)26;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h7-13,15-20H,1-6H3;5-7,9-11H,1-4H3;/q2*-1;
InChIKeyVXHAYKLDVSEUPE-UHFFFAOYSA-N
XLogP13.58
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.78
LogP ≤ 513.58
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]-4-propan-2-ylbenzimidazol-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

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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
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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
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CID 118533404
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Frequently Asked Questions

What is the IUPAC name of 8-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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 156668575) is 8-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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)cccc21.Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir].
What is the InChIKey of 8-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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 VXHAYKLDVSEUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F3N3O.C15H18GeN.Ir/c1-18(2)21-10-9-15-27-29(21)39-32(40(27)30-22(19(3)4)11-7-12-23(30)20(5)6)26-14-8-13-24-25-16-17-28(34(35,36)37)38-33(25)41-31(24)26;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h7-13,15-20H,1-6H3;5-7,9-11H,1-4H3;/q2*-1;.
What are the key properties of 8-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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-[1-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylbenzimidazol-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 1031.78 g/mol, XLogP of 13.58, 7 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]-4-propan-2-ylbenzimidazol-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 156668575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).