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

C52H50GeIrN4O-2 — CID 166499318

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

iridium;2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 166499318) has the molecular formula C52H50GeIrN4O-2 and a molecular weight of 1011.83 g/mol. Its IUPAC name is iridium;2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 166499318
• Molecular Formula: C52H50GeIrN4O-2
• Molecular Weight: 1011.83 g/mol
• Exact Mass: 1013.28
• IUPAC Name: iridium;2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• SMILES: Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.Cc1ccc2oc3c(-c4nc5ccccc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)[c-]ccc3c2n1.[Ir]
• InChI: InChI=1S/C37H32N3O.C15H18GeN.Ir/c1-22(2)29-20-26(25-12-7-6-8-13-25)21-30(23(3)4)35(29)40-32-17-10-9-16-31(32)39-37(40)28-15-11-14-27-34-33(41-36(27)28)19-18-24(5)38-34;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-14,16-23H,1-5H3;5-7,9-11H,1-4H3;/q2*-1
• InChIKey: XEERSADFKUUEKM-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.83
LogP ≤ 5	13.41
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-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of iridium;2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 166499318) is iridium;2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

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

The canonical SMILES for iridium;2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.Cc1ccc2oc3c(-c4nc5ccccc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)[c-]ccc3c2n1.[Ir].

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

The InChIKey is XEERSADFKUUEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N3O.C15H18GeN.Ir/c1-22(2)29-20-26(25-12-7-6-8-13-25)21-30(23(3)4)35(29)40-32-17-10-9-16-31(32)39-37(40)28-15-11-14-27-34-33(41-36(27)28)19-18-24(5)38-34;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-14,16-23H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;.

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

iridium;2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 1011.83 g/mol, XLogP of 13.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166499318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).