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

C46H46GeIrN4O-2 — CID 156670219

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

2-(2,6-dimethylphenyl)-5-methyl-8-(1-methylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156670219) has the molecular formula C46H46GeIrN4O-2 and a molecular weight of 935.73 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-5-methyl-8-(1-methylbenzimidazol-2-yl)-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)-5-methyl-8-(1-methylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 156670219
• Molecular Formula: C46H46GeIrN4O-2
• Molecular Weight: 935.73 g/mol
• Exact Mass: 937.25
• IUPAC Name: 2-(2,6-dimethylphenyl)-5-methyl-8-(1-methylbenzimidazol-2-yl)-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.Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccccc4n3C)[c-]cc(C)c12.[Ir]
• InChI: InChI=1S/C28H22N3O.C18H24GeN.Ir/c1-16-8-7-9-17(2)24(16)22-15-14-19-25-18(3)12-13-20(26(25)32-28(19)30-22)27-29-21-10-5-6-11-23(21)31(27)4;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-12,14-15H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: YLSPATMIEMUJHD-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.73
LogP ≤ 5	11.22
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)-5-methyl-8-(1-methylbenzimidazol-2-yl)-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)-5-methyl-8-(1-methylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156670219) is 2-(2,6-dimethylphenyl)-5-methyl-8-(1-methylbenzimidazol-2-yl)-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)-5-methyl-8-(1-methylbenzimidazol-2-yl)-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)-5-methyl-8-(1-methylbenzimidazol-2-yl)-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.Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccccc4n3C)[c-]cc(C)c12.[Ir].

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

The InChIKey is YLSPATMIEMUJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N3O.C18H24GeN.Ir/c1-16-8-7-9-17(2)24(16)22-15-14-19-25-18(3)12-13-20(26(25)32-28(19)30-22)27-29-21-10-5-6-11-23(21)31(27)4;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-12,14-15H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

2-(2,6-dimethylphenyl)-5-methyl-8-(1-methylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 935.73 g/mol, XLogP of 11.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenyl)-5-methyl-8-(1-methylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156670219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).