iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C66H61IrN5OSi-2 — CID 164741877

About iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 164741877) has the molecular formula C66H61IrN5OSi-2 and a molecular weight of 1160.55 g/mol. Its IUPAC name is iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 164741877
• Molecular Formula: C66H61IrN5OSi-2
• Molecular Weight: 1160.55 g/mol
• Exact Mass: 1160.43
• IUPAC Name: iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc(-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)nc2ccncc21.[Ir]
• InChI: InChI=1S/C48H37N4O.C18H24NSi.Ir/c1-29(2)37-26-32(31-14-6-5-7-15-31)27-38(30(3)4)46(37)52-43-28-49-25-24-39(43)50-48(52)36-22-23-42(47-45(36)35-18-10-13-21-44(35)53-47)51-40-19-11-8-16-33(40)34-17-9-12-20-41(34)51;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-21,23-30H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: QGNUJTXEQDWMBV-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1160.55
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 164741877) is iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc(-n3c4ccccc4c4ccccc43)c3oc4ccccc4c23)nc2ccncc21.[Ir].

What is the InChIKey of iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is QGNUJTXEQDWMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N4O.C18H24NSi.Ir/c1-29(2)37-26-32(31-14-6-5-7-15-31)27-38(30(3)4)46(37)52-43-28-49-25-24-39(43)50-48(52)36-22-23-42(47-45(36)35-18-10-13-21-44(35)53-47)51-40-19-11-8-16-33(40)34-17-9-12-20-41(34)51;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-21,23-30H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 1160.55 g/mol, XLogP of 17.09, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 164741877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).