[4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium

C65H72IrN4Si-2 — CID 166498936

About [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium

[4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium (PubChem CID 166498936) has the molecular formula C65H72IrN4Si-2 and a molecular weight of 1132.64 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium.

Molecular Properties

• Compound Name: [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium
• PubChem CID: 166498936
• Molecular Formula: C65H72IrN4Si-2
• Molecular Weight: 1132.64 g/mol
• Exact Mass: 1132.54
• IUPAC Name: [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc3c(c2)c2ccccc2n3C2CCCCC2)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(CC3CCCCC3)c([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C43H42N3.C22H30NSi.Ir/c1-28(2)35-26-32(30-15-7-5-8-16-30)27-36(29(3)4)42(35)46-41-22-14-12-20-38(41)44-43(46)31-23-24-40-37(25-31)34-19-11-13-21-39(34)45(40)33-17-9-6-10-18-33;1-17-10-12-19(13-11-17)21-15-20(14-18-8-6-5-7-9-18)22(16-23-21)24(2,3)4;/h5,7-8,11-16,19-22,24-29,33H,6,9-10,17-18H2,1-4H3;10-12,15-16,18H,5-9,14H2,1-4H3;/q2*-1;/i;1D3
• InChIKey: VRMRVDXMZZHEJM-ICMJTWPQSA-N
• XLogP: 17.54
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1132.64
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium?

The IUPAC name of [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium (CID 166498936) is [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium.

What is the SMILES notation for [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium?

The canonical SMILES for [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc3c(c2)c2ccccc2n3C2CCCCC2)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(CC3CCCCC3)c([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium?

The InChIKey is VRMRVDXMZZHEJM-ICMJTWPQSA-N. The full InChI is InChI=1S/C43H42N3.C22H30NSi.Ir/c1-28(2)35-26-32(30-15-7-5-8-16-30)27-36(29(3)4)42(35)46-41-22-14-12-20-38(41)44-43(46)31-23-24-40-37(25-31)34-19-11-13-21-39(34)45(40)33-17-9-6-10-18-33;1-17-10-12-19(13-11-17)21-15-20(14-18-8-6-5-7-9-18)22(16-23-21)24(2,3)4;/h5,7-8,11-16,19-22,24-29,33H,6,9-10,17-18H2,1-4H3;10-12,15-16,18H,5-9,14H2,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium?

[4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium has a molecular weight of 1132.64 g/mol, XLogP of 17.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(cyclohexylmethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;9-cyclohexyl-3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2H-carbazol-2-ide;iridium is sourced from PubChem (CID 166498936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).