iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane

C58H56IrN4OSi-2 — CID 156660400

About iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane

iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane (PubChem CID 156660400) has the molecular formula C58H56IrN4OSi-2 and a molecular weight of 1045.42 g/mol. Its IUPAC name is iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane
• PubChem CID: 156660400
• Molecular Formula: C58H56IrN4OSi-2
• Molecular Weight: 1045.42 g/mol
• Exact Mass: 1045.39
• IUPAC Name: iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cncc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc3oc4cc5ccccc5cc4c3c2)nc2ccccc21.[Ir]
• InChI: InChI=1S/C41H33N2O.C17H23N2Si.Ir/c1-25(2)32-22-31(27-12-6-5-7-13-27)23-33(26(3)4)40(32)43-37-17-11-10-16-36(37)42-41(43)30-18-19-38-34(21-30)35-20-28-14-8-9-15-29(28)24-39(35)44-38;1-13(2)10-15-11-16(14-6-8-18-9-7-14)19-12-17(15)20(3,4)5;/h5-17,19-26H,1-4H3;6,8-9,11-13H,10H2,1-5H3;/q2*-1
• InChIKey: VQFYNCALPCPYKI-UHFFFAOYSA-N
• XLogP: 15.14
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.42
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?

The IUPAC name of iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane (CID 156660400) is iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane.

What is the SMILES notation for iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?

The canonical SMILES for iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cncc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc3oc4cc5ccccc5cc4c3c2)nc2ccccc21.[Ir].

What is the InChIKey of iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?

The InChIKey is VQFYNCALPCPYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N2O.C17H23N2Si.Ir/c1-25(2)32-22-31(27-12-6-5-7-13-27)23-33(26(3)4)40(32)43-37-17-11-10-16-36(37)42-41(43)30-18-19-38-34(21-30)35-20-28-14-8-9-15-29(28)24-39(35)44-38;1-13(2)10-15-11-16(14-6-8-18-9-7-14)19-12-17(15)20(3,4)5;/h5-17,19-26H,1-4H3;6,8-9,11-13H,10H2,1-5H3;/q2*-1;.

What are the key properties of iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane?

iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane has a molecular weight of 1045.42 g/mol, XLogP of 15.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(3H-naphtho[2,3-b][1]benzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane is sourced from PubChem (CID 156660400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).