tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole)

C207H138Ir3N15 — CID 162273497

About tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole)

tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole) (PubChem CID 162273497) has the molecular formula C207H138Ir3N15 and a molecular weight of 3412.14 g/mol. Its IUPAC name is tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole).

Molecular Properties

• Compound Name: tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole)
• PubChem CID: 162273497
• Molecular Formula: C207H138Ir3N15
• Molecular Weight: 3412.14 g/mol
• Exact Mass: 3412.01
• IUPAC Name: tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole)
• SMILES: [Ir+3].[Ir+3].[Ir+3].[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/6C29H19N2.3C11H8N.3Ir/c6*1-3-10-28-25(7-1)26-8-2-4-11-29(26)31(28)24-18-16-22(17-19-24)21-12-14-23(15-13-21)27-9-5-6-20-30-27;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h6*1-14,16-20H;3*1-6,8-9H;;;/q9*-1;3*+3
• InChIKey: OZMODGOPYOTQQD-UHFFFAOYSA-N
• XLogP: 51.52
• TPSA: 145.59 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3412.14
LogP ≤ 5	51.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole)?

The IUPAC name of tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole) (CID 162273497) is tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole).

What is the SMILES notation for tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole)?

The canonical SMILES for tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole) is [Ir+3].[Ir+3].[Ir+3].[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole)?

The InChIKey is OZMODGOPYOTQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C29H19N2.3C11H8N.3Ir/c6*1-3-10-28-25(7-1)26-8-2-4-11-29(26)31(28)24-18-16-22(17-19-24)21-12-14-23(15-13-21)27-9-5-6-20-30-27;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h6*1-14,16-20H;3*1-6,8-9H;;;/q9*-1;3*+3.

What are the key properties of tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole)?

tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole) has a molecular weight of 3412.14 g/mol, XLogP of 51.52, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tris(iridium(3+));tris(2-phenylpyridine);hexakis(9-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]carbazole) is sourced from PubChem (CID 162273497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).