(4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium

C50H46IrN2OSi-2 — CID 166577988

About (4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium

(4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium (PubChem CID 166577988) has the molecular formula C50H46IrN2OSi-2 and a molecular weight of 911.23 g/mol. Its IUPAC name is (4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium.

Molecular Properties

• Compound Name: (4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium
• PubChem CID: 166577988
• Molecular Formula: C50H46IrN2OSi-2
• Molecular Weight: 911.23 g/mol
• Exact Mass: 911.30
• IUPAC Name: (4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium
• SMILES: C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.[Ir].[c-]1cc2c(cc1-c1cc(CC3CCCC3)ccn1)oc1ccc(-c3ccccc3)cc12
• InChI: InChI=1S/C29H24NO.C21H22NSi.Ir/c1-2-8-22(9-3-1)23-11-13-28-26(18-23)25-12-10-24(19-29(25)31-28)27-17-21(14-15-30-27)16-20-6-4-5-7-20;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;/h1-3,8-9,11-15,17-20H,4-7,16H2;4-12,15-16H,14H2,1-3H3;/q2*-1
• InChIKey: IHHCWTZYIRNWDF-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.23
LogP ≤ 5	12.53
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-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium?

The IUPAC name of (4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium (CID 166577988) is (4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium.

What is the SMILES notation for (4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium?

The canonical SMILES for (4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium is C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1Cc1ccccc1.[Ir].[c-]1cc2c(cc1-c1cc(CC3CCCC3)ccn1)oc1ccc(-c3ccccc3)cc12.

What is the InChIKey of (4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium?

The InChIKey is IHHCWTZYIRNWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24NO.C21H22NSi.Ir/c1-2-8-22(9-3-1)23-11-13-28-26(18-23)25-12-10-24(19-29(25)31-28)27-17-21(14-15-30-27)16-20-6-4-5-7-20;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;/h1-3,8-9,11-15,17-20H,4-7,16H2;4-12,15-16H,14H2,1-3H3;/q2*-1;.

What are the key properties of (4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium?

(4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium has a molecular weight of 911.23 g/mol, XLogP of 12.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium is sourced from PubChem (CID 166577988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).