iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide)

C72H51IrN6 — CID 139253793

About iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide)

iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide) (PubChem CID 139253793) has the molecular formula C72H51IrN6 and a molecular weight of 1192.46 g/mol. Its IUPAC name is iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide).

Molecular Properties

• Compound Name: iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide)
• PubChem CID: 139253793
• Molecular Formula: C72H51IrN6
• Molecular Weight: 1192.46 g/mol
• Exact Mass: 1192.38
• IUPAC Name: iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide)
• SMILES: Cc1ccnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c1.Cc1ccnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c1.Cc1ccnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c1.[Ir+3]
• InChI: InChI=1S/3C24H17N2.Ir/c3*1-17-13-14-25-22(15-17)18-11-12-24-21(16-18)20-9-5-6-10-23(20)26(24)19-7-3-2-4-8-19;/h3*2-10,12-16H,1H3;/q3*-1;+3
• InChIKey: CSDLYPKEMLVNFP-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1192.46
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide)?

The IUPAC name of iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide) (CID 139253793) is iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide).

What is the SMILES notation for iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide)?

The canonical SMILES for iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide) is Cc1ccnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c1.Cc1ccnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c1.Cc1ccnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c1.[Ir+3].

What is the InChIKey of iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide)?

The InChIKey is CSDLYPKEMLVNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H17N2.Ir/c3*1-17-13-14-25-22(15-17)18-11-12-24-21(16-18)20-9-5-6-10-23(20)26(24)19-7-3-2-4-8-19;/h3*2-10,12-16H,1H3;/q3*-1;+3.

What are the key properties of iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide)?

iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide) has a molecular weight of 1192.46 g/mol, XLogP of 17.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for iridium(3+);tris(3-(4-methyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide) is sourced from PubChem (CID 139253793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).