iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane

C53H44GeIrN4O2-2 — CID 170532049

About iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane

iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane (PubChem CID 170532049) has the molecular formula C53H44GeIrN4O2-2 and a molecular weight of 1033.79 g/mol. Its IUPAC name is iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane
• PubChem CID: 170532049
• Molecular Formula: C53H44GeIrN4O2-2
• Molecular Weight: 1033.79 g/mol
• Exact Mass: 1035.23
• IUPAC Name: iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane
• SMILES: Cc1ccc2c(n1)oc1c(-c3cc(CC(C)C)c([Ge](C)(C)C)cn3)[c-]ccc12.[Ir].[c-]1ccc2c(oc3cc4ccccc4cc32)c1-c1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C29H17N2O.C24H27GeN2O.Ir/c1-2-11-21(12-3-1)31-26-16-7-6-15-25(26)30-29(31)23-14-8-13-22-24-17-19-9-4-5-10-20(19)18-27(24)32-28(22)23;1-15(2)12-17-13-22(26-14-21(17)25(4,5)6)20-9-7-8-18-19-11-10-16(3)27-24(19)28-23(18)20;/h1-13,15-18H;7-8,10-11,13-15H,12H2,1-6H3;/q2*-1
• InChIKey: BNBLOSWFEAPDTE-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.79
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane?

The IUPAC name of iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane (CID 170532049) is iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane.

What is the SMILES notation for iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane?

The canonical SMILES for iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane is Cc1ccc2c(n1)oc1c(-c3cc(CC(C)C)c([Ge](C)(C)C)cn3)[c-]ccc12.[Ir].[c-]1ccc2c(oc3cc4ccccc4cc32)c1-c1nc2ccccc2n1-c1ccccc1.

What is the InChIKey of iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane?

The InChIKey is BNBLOSWFEAPDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N2O.C24H27GeN2O.Ir/c1-2-11-21(12-3-1)31-26-16-7-6-15-25(26)30-29(31)23-14-8-13-22-24-17-19-9-4-5-10-20(19)18-27(24)32-28(22)23;1-15(2)12-17-13-22(26-14-21(17)25(4,5)6)20-9-7-8-18-19-11-10-16(3)27-24(19)28-23(18)20;/h1-13,15-18H;7-8,10-11,13-15H,12H2,1-6H3;/q2*-1;.

What are the key properties of iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane?

iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane has a molecular weight of 1033.79 g/mol, XLogP of 13.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-4-yl)-1-phenylbenzimidazole;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]germane is sourced from PubChem (CID 170532049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).