8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)

C73H48IrN5S — CID 153458148

About 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)

8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+) (PubChem CID 153458148) has the molecular formula C73H48IrN5S and a molecular weight of 1219.51 g/mol. Its IUPAC name is 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+).

Molecular Properties

• Compound Name: 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)
• PubChem CID: 153458148
• Molecular Formula: C73H48IrN5S
• Molecular Weight: 1219.51 g/mol
• Exact Mass: 1219.33
• IUPAC Name: 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)
• SMILES: Cc1nc2c3[c-]cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6[c-]ccc(-c7ccc8c(c7)sc7ccccc78)c6)nc5)cc(-c5ccccc5-c5c[c-]c6c(ccn7c(C)c(C)nc67)c5)c4)cc3ccn2c1C.[Ir+3]
• InChI: InChI=1S/C73H48N5S.Ir/c1-44-46(3)77-34-32-52-37-50(25-28-65(52)72(77)75-44)59-16-5-8-19-62(59)56-39-57(63-20-9-6-17-60(63)51-26-29-66-53(38-51)33-35-78-47(4)45(2)76-73(66)78)41-58(40-56)64-21-10-7-18-61(64)55-27-31-69(74-43-55)54-15-13-14-48(36-54)49-24-30-68-67-22-11-12-23-70(67)79-71(68)42-49;/h5-14,16-27,30-43H,1-4H3;/q-3;+3
• InChIKey: DRAFCYJGACQEGY-UHFFFAOYSA-N
• XLogP: 19.02
• TPSA: 47.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.51
LogP ≤ 5	19.02
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 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)?

The IUPAC name of 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+) (CID 153458148) is 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+).

What is the SMILES notation for 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)?

The canonical SMILES for 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+) is Cc1nc2c3[c-]cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6[c-]ccc(-c7ccc8c(c7)sc7ccccc78)c6)nc5)cc(-c5ccccc5-c5c[c-]c6c(ccn7c(C)c(C)nc67)c5)c4)cc3ccn2c1C.[Ir+3].

What is the InChIKey of 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)?

The InChIKey is DRAFCYJGACQEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N5S.Ir/c1-44-46(3)77-34-32-52-37-50(25-28-65(52)72(77)75-44)59-16-5-8-19-62(59)56-39-57(63-20-9-6-17-60(63)51-26-29-66-53(38-51)33-35-78-47(4)45(2)76-73(66)78)41-58(40-56)64-21-10-7-18-61(64)55-27-31-69(74-43-55)54-15-13-14-48(36-54)49-24-30-68-67-22-11-12-23-70(67)79-71(68)42-49;/h5-14,16-27,30-43H,1-4H3;/q-3;+3.

What are the key properties of 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+)?

8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+) has a molecular weight of 1219.51 g/mol, XLogP of 19.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[3-[2-[6-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium(3+) is sourced from PubChem (CID 153458148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).