iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane

C43H44IrN2Si-2 — CID 162709150

About iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane

iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane (PubChem CID 162709150) has the molecular formula C43H44IrN2Si-2 and a molecular weight of 809.14 g/mol. Its IUPAC name is iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane
• PubChem CID: 162709150
• Molecular Formula: C43H44IrN2Si-2
• Molecular Weight: 809.14 g/mol
• Exact Mass: 809.29
• IUPAC Name: iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane
• SMILES: CC(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1c[c-]c(-c2cc(C(C)c3ccccc3)c([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C23H26NSi.C20H18N.Ir/c1-17-11-13-20(14-12-17)22-15-21(23(16-24-22)25(3,4)5)18(2)19-9-7-6-8-10-19;1-15(2)17-11-12-21-20(14-17)19-10-6-9-18(13-19)16-7-4-3-5-8-16;/h6-13,15-16,18H,1-5H3;3-9,11-15H,1-2H3;/q2*-1
• InChIKey: OHUBIRDUBBSPLE-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.14
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane?

The IUPAC name of iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane (CID 162709150) is iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane.

What is the SMILES notation for iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane?

The canonical SMILES for iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane is CC(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1c[c-]c(-c2cc(C(C)c3ccccc3)c([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane?

The InChIKey is OHUBIRDUBBSPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NSi.C20H18N.Ir/c1-17-11-13-20(14-12-17)22-15-21(23(16-24-22)25(3,4)5)18(2)19-9-7-6-8-10-19;1-15(2)17-11-12-21-20(14-17)19-10-6-9-18(13-19)16-7-4-3-5-8-16;/h6-13,15-16,18H,1-5H3;3-9,11-15H,1-2H3;/q2*-1;.

What are the key properties of iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane?

iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane has a molecular weight of 809.14 g/mol, XLogP of 10.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane is sourced from PubChem (CID 162709150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).