carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

C74H53IrN5-4 — CID 153458272

About carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (PubChem CID 153458272) has the molecular formula C74H53IrN5-4 and a molecular weight of 1204.49 g/mol. Its IUPAC name is carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.

Molecular Properties

• Compound Name: carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
• PubChem CID: 153458272
• Molecular Formula: C74H53IrN5-4
• Molecular Weight: 1204.49 g/mol
• Exact Mass: 1204.40
• IUPAC Name: carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
• SMILES: Cc1nc2c3[c-]cc(-c4ccccc4-c4cc(-c5ccccc5-c5c[c-]c(-c6cc(-c7ccc(-c8ccccc8)cc7)ccn6)cc5)cc(-c5ccccc5-c5c[c-]c6c(ccn7c(C)c(C)nc67)c5)c4)cc3ccn2c1C.[CH3-].[Ir]
• InChI: InChI=1S/C73H50N5.CH3.Ir/c1-46-48(3)77-38-35-58-40-56(30-32-69(58)72(77)75-46)64-17-9-12-20-67(64)61-42-60(43-62(44-61)68-21-13-10-18-65(68)57-31-33-70-59(41-57)36-39-78-49(4)47(2)76-73(70)78)66-19-11-8-16-63(66)53-26-28-54(29-27-53)71-45-55(34-37-74-71)52-24-22-51(23-25-52)50-14-6-5-7-15-50;;/h5-28,30-31,34-45H,1-4H3;1H3;/q-3;-1
• InChIKey: XDGGERFVRIJEFQ-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 47.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.49
LogP ≤ 5	18.77
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 carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?

The IUPAC name of carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (CID 153458272) is carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.

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

The canonical SMILES for carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is Cc1nc2c3[c-]cc(-c4ccccc4-c4cc(-c5ccccc5-c5c[c-]c(-c6cc(-c7ccc(-c8ccccc8)cc7)ccn6)cc5)cc(-c5ccccc5-c5c[c-]c6c(ccn7c(C)c(C)nc67)c5)c4)cc3ccn2c1C.[CH3-].[Ir].

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

The InChIKey is XDGGERFVRIJEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N5.CH3.Ir/c1-46-48(3)77-38-35-58-40-56(30-32-69(58)72(77)75-46)64-17-9-12-20-67(64)61-42-60(43-62(44-61)68-21-13-10-18-65(68)57-31-33-70-59(41-57)36-39-78-49(4)47(2)76-73(70)78)66-19-11-8-16-63(66)53-26-28-54(29-27-53)71-45-55(34-37-74-71)52-24-22-51(23-25-52)50-14-6-5-7-15-50;;/h5-28,30-31,34-45H,1-4H3;1H3;/q-3;-1;.

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

carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium has a molecular weight of 1204.49 g/mol, XLogP of 18.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;8-[2-[3-[2-(2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-id-8-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is sourced from PubChem (CID 153458272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).