iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C55H56IrN4SSi-2 — CID 162776833

About iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 162776833) has the molecular formula C55H56IrN4SSi-2 and a molecular weight of 1025.45 g/mol. Its IUPAC name is iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 162776833
• Molecular Formula: C55H56IrN4SSi-2
• Molecular Weight: 1025.45 g/mol
• Exact Mass: 1025.36
• IUPAC Name: iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccc2sc3c(-c4nc5ccncc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)[c-]ccc3c2c1.[Ir]
• InChI: InChI=1S/C37H32N3S.C18H24NSi.Ir/c1-22(2)29-19-26(25-10-7-6-8-11-25)20-30(23(3)4)35(29)40-33-21-38-17-16-32(33)39-37(40)28-13-9-12-27-31-18-24(5)14-15-34(31)41-36(27)28;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-12,14-23H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: LXZSNIBIVKTORR-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1025.45
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 162776833) is iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1ccc2sc3c(-c4nc5ccncc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)[c-]ccc3c2c1.[Ir].

What is the InChIKey of iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is LXZSNIBIVKTORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N3S.C18H24NSi.Ir/c1-22(2)29-19-26(25-10-7-6-8-11-25)20-30(23(3)4)35(29)40-33-21-38-17-16-32(33)39-37(40)28-13-9-12-27-31-18-24(5)14-15-34(31)41-36(27)28;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-12,14-23H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 1025.45 g/mol, XLogP of 14.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 162776833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).