5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+)

C97H65IrN4 — CID 153422852

About 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+)

5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+) (PubChem CID 153422852) has the molecular formula C97H65IrN4 and a molecular weight of 1478.83 g/mol. Its IUPAC name is 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+).

Molecular Properties

• Compound Name: 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+)
• PubChem CID: 153422852
• Molecular Formula: C97H65IrN4
• Molecular Weight: 1478.83 g/mol
• Exact Mass: 1478.48
• IUPAC Name: 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+)
• SMILES: Cc1cc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4C)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4C)c3)c(-c3cccc(-n4c5ccccc5c5cc6c(cc54)Cc4ccccc4-6)c3)c2)ncc1-c1cccc(-c2ccccc2)c1.[Ir+3]
• InChI: InChI=1S/C97H65N4.Ir/c1-62-49-70(93-38-17-19-47-98-93)41-44-78(62)84-34-12-9-31-81(84)73-54-74(82-32-10-13-35-85(82)79-45-42-71(50-63(79)2)94-39-18-20-48-99-94)56-75(55-73)83-33-11-14-36-86(83)87-46-43-72(95-51-64(3)92(61-100-95)68-27-21-26-66(52-68)65-23-5-4-6-24-65)58-89(87)69-28-22-29-77(57-69)101-96-40-16-15-37-88(96)91-60-90-76(59-97(91)101)53-67-25-7-8-30-80(67)90;/h4-40,44-52,54-61H,53H2,1-3H3;/q-3;+3
• InChIKey: WLUXYOXUDBUNSA-UHFFFAOYSA-N
• XLogP: 24.87
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1478.83
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+)?

The IUPAC name of 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+) (CID 153422852) is 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+).

What is the SMILES notation for 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+)?

The canonical SMILES for 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+) is Cc1cc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4C)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4C)c3)c(-c3cccc(-n4c5ccccc5c5cc6c(cc54)Cc4ccccc4-6)c3)c2)ncc1-c1cccc(-c2ccccc2)c1.[Ir+3].

What is the InChIKey of 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+)?

The InChIKey is WLUXYOXUDBUNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H65N4.Ir/c1-62-49-70(93-38-17-19-47-98-93)41-44-78(62)84-34-12-9-31-81(84)73-54-74(82-32-10-13-35-85(82)79-45-42-71(50-63(79)2)94-39-18-20-48-99-94)56-75(55-73)83-33-11-14-36-86(83)87-46-43-72(95-51-64(3)92(61-100-95)68-27-21-26-66(52-68)65-23-5-4-6-24-65)58-89(87)69-28-22-29-77(57-69)101-96-40-16-15-37-88(96)91-60-90-76(59-97(91)101)53-67-25-7-8-30-80(67)90;/h4-40,44-52,54-61H,53H2,1-3H3;/q-3;+3.

What are the key properties of 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+)?

5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+) has a molecular weight of 1478.83 g/mol, XLogP of 24.87, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[2-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-4-id-1-yl]phenyl]-7H-indeno[2,1-b]carbazole;iridium(3+) is sourced from PubChem (CID 153422852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).