2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C54H60GeIrN4O-2 — CID 162453206

About 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 162453206) has the molecular formula C54H60GeIrN4O-2 and a molecular weight of 1045.93 g/mol. Its IUPAC name is 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 162453206
• Molecular Formula: C54H60GeIrN4O-2
• Molecular Weight: 1045.93 g/mol
• Exact Mass: 1047.36
• IUPAC Name: 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3nc(C(C)(C)C)oc23)nc2ccccc21.[Ir]
• InChI: InChI=1S/C36H36N3O.C18H24GeN.Ir/c1-22(2)27-20-25(24-14-9-8-10-15-24)21-28(23(3)4)32(27)39-31-19-12-11-17-29(31)37-34(39)26-16-13-18-30-33(26)40-35(38-30)36(5,6)7;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h8-15,17-23H,1-7H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: QYBQZZUDQURNBW-UHFFFAOYSA-N
• XLogP: 14.14
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.93
LogP ≤ 5	14.14
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 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 162453206) is 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3nc(C(C)(C)C)oc23)nc2ccccc21.[Ir].

What is the InChIKey of 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is QYBQZZUDQURNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N3O.C18H24GeN.Ir/c1-22(2)27-20-25(24-14-9-8-10-15-24)21-28(23(3)4)32(27)39-31-19-12-11-17-29(31)37-34(39)26-16-13-18-30-33(26)40-35(38-30)36(5,6)7;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h8-15,17-23H,1-7H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1045.93 g/mol, XLogP of 14.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-6H-1,3-benzoxazol-6-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 162453206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).