[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)

C57H58IrN3SSi — CID 167332079

About [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)

[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) (PubChem CID 167332079) has the molecular formula C57H58IrN3SSi and a molecular weight of 1037.48 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+).

Molecular Properties

• Compound Name: [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)
• PubChem CID: 167332079
• Molecular Formula: C57H58IrN3SSi
• Molecular Weight: 1037.48 g/mol
• Exact Mass: 1037.37
• IUPAC Name: [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1N1c2ccccc2[N-]C1c1[c-]cc2sc3ccccc3c2c1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.[Ir+3]
• InChI: InChI=1S/C37H32N2S.C20H26NSi.Ir/c1-23(2)29-21-27(25-12-6-5-7-13-25)22-30(24(3)4)36(29)39-33-16-10-9-15-32(33)38-37(39)26-18-19-35-31(20-26)28-14-8-11-17-34(28)40-35;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;/h5-17,19-24,37H,1-4H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q-2;-1;+3
• InChIKey: JOCFKCZUEXUGEC-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 30.23 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.48
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

The IUPAC name of [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) (CID 167332079) is [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+).

What is the SMILES notation for [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

The canonical SMILES for [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1N1c2ccccc2[N-]C1c1[c-]cc2sc3ccccc3c2c1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.[Ir+3].

What is the InChIKey of [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

The InChIKey is JOCFKCZUEXUGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N2S.C20H26NSi.Ir/c1-23(2)29-21-27(25-12-6-5-7-13-25)22-30(24(3)4)36(29)39-33-16-10-9-15-32(33)38-37(39)26-18-19-35-31(20-26)28-14-8-11-17-34(28)40-35;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;/h5-17,19-24,37H,1-4H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q-2;-1;+3.

What are the key properties of [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+)?

[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) has a molecular weight of 1037.48 g/mol, XLogP of 16.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ide;iridium(3+) is sourced from PubChem (CID 167332079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).