8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)

C65H50IrN5 — CID 165148891

About 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)

8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+) (PubChem CID 165148891) has the molecular formula C65H50IrN5 and a molecular weight of 1093.37 g/mol. Its IUPAC name is 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+).

Molecular Properties

• Compound Name: 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)
• PubChem CID: 165148891
• Molecular Formula: C65H50IrN5
• Molecular Weight: 1093.37 g/mol
• Exact Mass: 1093.37
• IUPAC Name: 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)
• SMILES: Cc1nc2c3[c-]cc(CCc4cc(CCc5c[c-]c6c(ccn7c(C)c(C)nc67)c5)cc(-c5ccccc5-c5c[c-]c(-c6ccccn6)cc5-c5ccc(-c6ccccc6)cc5)c4)cc3ccn2c1C.[Ir+3]
• InChI: InChI=1S/C65H50N5.Ir/c1-42-44(3)69-34-31-53-37-46(21-28-58(53)64(69)67-42)17-19-48-36-49(20-18-47-22-29-59-54(38-47)32-35-70-45(4)43(2)68-65(59)70)40-56(39-48)57-14-8-9-15-60(57)61-30-27-55(63-16-10-11-33-66-63)41-62(61)52-25-23-51(24-26-52)50-12-6-5-7-13-50;/h5-16,21-26,30-41H,17-20H2,1-4H3;/q-3;+3
• InChIKey: OADAXRFKXSYGGD-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 47.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.37
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)?

The IUPAC name of 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+) (CID 165148891) is 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+).

What is the SMILES notation for 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)?

The canonical SMILES for 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+) is Cc1nc2c3[c-]cc(CCc4cc(CCc5c[c-]c6c(ccn7c(C)c(C)nc67)c5)cc(-c5ccccc5-c5c[c-]c(-c6ccccn6)cc5-c5ccc(-c6ccccc6)cc5)c4)cc3ccn2c1C.[Ir+3].

What is the InChIKey of 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)?

The InChIKey is OADAXRFKXSYGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N5.Ir/c1-42-44(3)69-34-31-53-37-46(21-28-58(53)64(69)67-42)17-19-48-36-49(20-18-47-22-29-59-54(38-47)32-35-70-45(4)43(2)68-65(59)70)40-56(39-48)57-14-8-9-15-60(57)61-30-27-55(63-16-10-11-33-66-63)41-62(61)52-25-23-51(24-26-52)50-12-6-5-7-13-50;/h5-16,21-26,30-41H,17-20H2,1-4H3;/q-3;+3.

What are the key properties of 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)?

8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+) has a molecular weight of 1093.37 g/mol, XLogP of 15.22, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)ethyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]ethyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+) is sourced from PubChem (CID 165148891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).