iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane

C53H52GeIrN4O-2 — CID 170532079

About iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane

iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane (PubChem CID 170532079) has the molecular formula C53H52GeIrN4O-2 and a molecular weight of 1025.85 g/mol. Its IUPAC name is iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane
• PubChem CID: 170532079
• Molecular Formula: C53H52GeIrN4O-2
• Molecular Weight: 1025.85 g/mol
• Exact Mass: 1027.30
• IUPAC Name: iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane
• SMILES: Cc1cc[c-]c(-c2nc3ccccc3n2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c1.Cc1ccc2c(n1)oc1c(-c3cc(C)c([Ge](C)(C)C)cn3)[c-]ccc12.[Ir]
• InChI: InChI=1S/C32H31N2.C21H21GeN2O.Ir/c1-21(2)27-19-26(24-13-7-6-8-14-24)20-28(22(3)4)31(27)34-30-17-10-9-16-29(30)33-32(34)25-15-11-12-23(5)18-25;1-13-11-19(23-12-18(13)22(3,4)5)17-8-6-7-15-16-10-9-14(2)24-21(16)25-20(15)17;/h6-14,16-22H,1-5H3;6-7,9-12H,1-5H3;/q2*-1
• InChIKey: XQKKGYJTHIXBKA-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1025.85
LogP ≤ 5	13.72
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 iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane?

The IUPAC name of iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane (CID 170532079) is iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane.

What is the SMILES notation for iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane?

The canonical SMILES for iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane is Cc1cc[c-]c(-c2nc3ccccc3n2-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c1.Cc1ccc2c(n1)oc1c(-c3cc(C)c([Ge](C)(C)C)cn3)[c-]ccc12.[Ir].

What is the InChIKey of iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane?

The InChIKey is XQKKGYJTHIXBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N2.C21H21GeN2O.Ir/c1-21(2)27-19-26(24-13-7-6-8-14-24)20-28(22(3)4)31(27)34-30-17-10-9-16-29(30)33-32(34)25-15-11-12-23(5)18-25;1-13-11-19(23-12-18(13)22(3,4)5)17-8-6-7-15-16-10-9-14(2)24-21(16)25-20(15)17;/h6-14,16-22H,1-5H3;6-7,9-12H,1-5H3;/q2*-1;.

What are the key properties of iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane?

iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane has a molecular weight of 1025.85 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(3-methylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-methyl-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]germane is sourced from PubChem (CID 170532079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).