2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C47H48GeIrN4O-2 — CID 156668507

About 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156668507) has the molecular formula C47H48GeIrN4O-2 and a molecular weight of 949.75 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 156668507
• Molecular Formula: C47H48GeIrN4O-2
• Molecular Weight: 949.75 g/mol
• Exact Mass: 951.27
• IUPAC Name: 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CCn1c(-c2[c-]cc(C)c3c2oc2nc(-c4c(C)cccc4C)ccc23)nc2ccccc21.[Ir]
• InChI: InChI=1S/C29H24N3O.C18H24GeN.Ir/c1-5-32-24-12-7-6-11-22(24)30-28(32)21-14-13-19(4)26-20-15-16-23(31-29(20)33-27(21)26)25-17(2)9-8-10-18(25)3;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h6-13,15-16H,5H2,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: LDGDZWOQSURFRM-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.75
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156668507) is 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-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 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-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.CCn1c(-c2[c-]cc(C)c3c2oc2nc(-c4c(C)cccc4C)ccc23)nc2ccccc21.[Ir].

What is the InChIKey of 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is LDGDZWOQSURFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N3O.C18H24GeN.Ir/c1-5-32-24-12-7-6-11-22(24)30-28(32)21-14-13-19(4)26-20-15-16-23(31-29(20)33-27(21)26)25-17(2)9-8-10-18(25)3;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h6-13,15-16H,5H2,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 949.75 g/mol, XLogP of 11.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenyl)-8-(1-ethylbenzimidazol-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156668507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).