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

C47H46GeIrN4O-2 — CID 156671064

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

8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 156671064) has the molecular formula C47H46GeIrN4O-2 and a molecular weight of 947.74 g/mol. Its IUPAC name is 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 156671064
• Molecular Formula: C47H46GeIrN4O-2
• Molecular Weight: 947.74 g/mol
• Exact Mass: 949.25
• IUPAC Name: 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• SMILES: C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[Ir]
• InChI: InChI=1S/C26H18N3O.C21H28GeN.Ir/c1-17-14-15-20-19-10-7-11-21(24(19)30-26(20)27-17)25-28-22-12-5-6-13-23(22)29(25)16-18-8-3-2-4-9-18;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;/h2-10,12-15H,16H2,1H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1
• InChIKey: JUCNUYPMIXQFMU-UHFFFAOYSA-N
• XLogP: 11.37
• 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	947.74
LogP ≤ 5	11.37
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 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 156671064) is 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

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

The canonical SMILES for 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[Ir].

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

The InChIKey is JUCNUYPMIXQFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N3O.C21H28GeN.Ir/c1-17-14-15-20-19-10-7-11-21(24(19)30-26(20)27-17)25-28-22-12-5-6-13-23(22)29(25)16-18-8-3-2-4-9-18;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;/h2-10,12-15H,16H2,1H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;/q2*-1;.

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

8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 947.74 g/mol, XLogP of 11.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 156671064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).