[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C43H46GeIrN4O-2 — CID 156670415

About [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 156670415) has the molecular formula C43H46GeIrN4O-2 and a molecular weight of 899.69 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 156670415
• Molecular Formula: C43H46GeIrN4O-2
• Molecular Weight: 899.69 g/mol
• Exact Mass: 901.25
• IUPAC Name: [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3C(C)C)[c-]ccc12.[Ir]
• InChI: InChI=1S/C22H18N3O.C21H28GeN.Ir/c1-13(2)25-19-10-5-4-9-18(19)24-21(25)17-8-6-7-15-16-12-11-14(3)23-22(16)26-20(15)17;1-22(2,3)20-16-23-21(18-12-8-5-9-13-18)15-19(20)14-17-10-6-4-7-11-17;/h4-7,9-13H,1-3H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1
• InChIKey: JMGAJWJIHZBFBL-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.69
LogP ≤ 5	10.90
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 [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 156670415) is [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

What is the SMILES notation for [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The canonical SMILES for [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3C(C)C)[c-]ccc12.[Ir].

What is the InChIKey of [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is JMGAJWJIHZBFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N3O.C21H28GeN.Ir/c1-13(2)25-19-10-5-4-9-18(19)24-21(25)17-8-6-7-15-16-12-11-14(3)23-22(16)26-20(15)17;1-22(2,3)20-16-23-21(18-12-8-5-9-13-18)15-19(20)14-17-10-6-4-7-11-17;/h4-7,9-13H,1-3H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;.

What are the key properties of [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 899.69 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 156670415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).