iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane

C61H53GeIrN3O-2 — CID 156660868

About iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane (PubChem CID 156660868) has the molecular formula C61H53GeIrN3O-2 and a molecular weight of 1108.94 g/mol. Its IUPAC name is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 156660868
• Molecular Formula: C61H53GeIrN3O-2
• Molecular Weight: 1108.94 g/mol
• Exact Mass: 1110.30
• IUPAC Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.[Ir]
• InChI: InChI=1S/C43H35N2O.C18H18GeN.Ir/c1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;1-19(2,3)15-11-12-18(20-13-15)17-10-6-8-14-7-4-5-9-16(14)17;/h5-18,20-28H,1-4H3;4-9,11-13H,1-3H3;/q2*-1
• InChIKey: SEYYVLRKNQRTLP-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1108.94
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane (CID 156660868) is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane.

What is the SMILES notation for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

The canonical SMILES for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.[Ir].

What is the InChIKey of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

The InChIKey is SEYYVLRKNQRTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N2O.C18H18GeN.Ir/c1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;1-19(2,3)15-11-12-18(20-13-15)17-10-6-8-14-7-4-5-9-16(14)17;/h5-18,20-28H,1-4H3;4-9,11-13H,1-3H3;/q2*-1;.

What are the key properties of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane has a molecular weight of 1108.94 g/mol, XLogP of 16.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 156660868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).