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

C54H54GeIrN4O-2 — CID 156671327

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

1,3-dimethyl-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 156671327) has the molecular formula C54H54GeIrN4O-2 and a molecular weight of 1039.88 g/mol. Its IUPAC name is 1,3-dimethyl-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 1,3-dimethyl-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 156671327
• Molecular Formula: C54H54GeIrN4O-2
• Molecular Weight: 1039.88 g/mol
• Exact Mass: 1041.31
• IUPAC Name: 1,3-dimethyl-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• SMILES: Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.Cc1cc2c(oc3c(-c4nc5ccccc5n4Cc4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)[c-]ccc32)c(C)n1.[Ir]
• InChI: InChI=1S/C39H36N3O.C15H18GeN.Ir/c1-23(2)31-20-28(27-13-8-7-9-14-27)21-32(24(3)4)34(31)22-42-36-18-11-10-17-35(36)41-39(42)30-16-12-15-29-33-19-25(5)40-26(6)37(33)43-38(29)30;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h7-15,17-21,23-24H,22H2,1-6H3;5-7,9-11H,1-4H3;/q2*-1
• InChIKey: WXLNHNRAYRFSAJ-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1039.88
LogP ≤ 5	13.78
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 1,3-dimethyl-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of 1,3-dimethyl-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 156671327) is 1,3-dimethyl-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

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

The canonical SMILES for 1,3-dimethyl-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.Cc1cc2c(oc3c(-c4nc5ccccc5n4Cc4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)[c-]ccc32)c(C)n1.[Ir].

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

The InChIKey is WXLNHNRAYRFSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N3O.C15H18GeN.Ir/c1-23(2)31-20-28(27-13-8-7-9-14-27)21-32(24(3)4)34(31)22-42-36-18-11-10-17-35(36)41-39(42)30-16-12-15-29-33-19-25(5)40-26(6)37(33)43-38(29)30;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h7-15,17-21,23-24H,22H2,1-6H3;5-7,9-11H,1-4H3;/q2*-1;.

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

1,3-dimethyl-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 1039.88 g/mol, XLogP of 13.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-8-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 156671327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).