Iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C₅₉H₅₅F₃GeIrN₄O-2 — CID 156671217

About Iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

Iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156671217) has the molecular formula C₅₉H₅₅F₃GeIrN₄O-2 and a molecular weight of 1157.94 g/mol. Its IUPAC name is iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: Iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 156671217
• Molecular Formula: C₅₉H₅₅F₃GeIrN₄O-2
• Molecular Weight: 1157.94 g/mol
• Exact Mass: 1159.32
• IUPAC Name: iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2ccc3ccccc3c2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir]
• InChI: InChI=1S/C41H31F3N3O.C18H24GeN.Ir/c1-23(2)32-21-28(27-17-16-25-10-5-6-11-26(25)20-27)22-33(24(3)4)37(32)47-35-15-8-7-14-34(35)45-39(47)31-13-9-12-29-30-18-19-36(41(42,43)44)46-40(30)48-38(29)31;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-12,14-24H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: HHMMNOXLLPEQGP-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1157.94
LogP ≤ 5	16.16
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;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of Iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156671217) is iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for Iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for Iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1cc(-c2ccc3ccccc3c2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir].

What is the InChIKey of Iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is HHMMNOXLLPEQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31F3N3O.C18H24GeN.Ir/c1-23(2)32-21-28(27-17-16-25-10-5-6-11-26(25)20-27)22-33(24(3)4)37(32)47-35-15-8-7-14-34(35)45-39(47)31-13-9-12-29-30-18-19-36(41(42,43)44)46-40(30)48-38(29)31;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h5-12,14-24H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of Iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

Iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1157.94 g/mol, XLogP of 16.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Iridium;8-[1-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156671217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156671217 — identifiers, structure, computed properties (public domain)

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