[4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

C51H52IrN2OSi2-2 — CID 166576922

About [4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

[4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 166576922) has the molecular formula C51H52IrN2OSi2-2 and a molecular weight of 957.38 g/mol. Its IUPAC name is [4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: [4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 166576922
• Molecular Formula: C51H52IrN2OSi2-2
• Molecular Weight: 957.38 g/mol
• Exact Mass: 957.33
• IUPAC Name: [4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
• SMILES: CC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccc([Si](C)(C)C)cc4)ccc23)c1.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir]
• InChI: InChI=1S/C31H32NOSi.C20H20NSi.Ir/c1-31(2,3)20-21-16-17-32-28(18-21)27-9-7-8-26-25-15-12-23(19-29(25)33-30(26)27)22-10-13-24(14-11-22)34(4,5)6;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h7-8,10-19H,20H2,1-6H3;4-10,12-15H,1-3H3;/q2*-1
• InChIKey: IASDXKPXTAVUQJ-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.38
LogP ≤ 5	13.01
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-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The IUPAC name of [4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 166576922) is [4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.

What is the SMILES notation for [4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The canonical SMILES for [4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is CC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccc([Si](C)(C)C)cc4)ccc23)c1.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir].

What is the InChIKey of [4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The InChIKey is IASDXKPXTAVUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32NOSi.C20H20NSi.Ir/c1-31(2,3)20-21-16-17-32-28(18-21)27-9-7-8-26-25-15-12-23(19-29(25)33-30(26)27)22-10-13-24(14-11-22)34(4,5)6;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h7-8,10-19H,20H2,1-6H3;4-10,12-15H,1-3H3;/q2*-1;.

What are the key properties of [4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

[4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 957.38 g/mol, XLogP of 13.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 166576922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).