1λ3,3λ3,7'λ5,7''λ5,7'''λ5,7''''λ5-dispiro[1λ3,3λ3-dichlora-2,4-diiridacyclobutane-2,8':2,8'':4,8''':4,8''''-tetrakis([7λ5]aza-[8]iridatricyclo[7.4.0.02,7]tridecane)]-1'(13'),1''(13''),1'''(13'''),1''''(13''''),2'(7'),2'',2''',2'''',3',4'',4''',4'''',5',6'',6''',6'''',9',9'',9''',9'''',11',11'',11''',11''''-tetracosaene-1,3,7',7'',7''',7''''-hexakis(ylium)-2,2,2,4,4,4-hexauide

• ChemBase ID: 296524
• Molecular Formular: C44H32Cl2Ir2N4
• Molecular Mass: 1072.09168
• Monoisotopic Mass: 1072.1262544
• SMILES: c1cc2c3ccccc3[Ir-3]34([Cl+][Ir-3]56([Cl+]3)([n+]3ccccc3c3ccccc53)[n+]3ccccc3c3ccccc63)([n+]3ccccc3c3ccccc43)[n+]2cc1
• Canonical SMILES: c1cc[n+]2c(c1)c1ccccc1[Ir-3]132([Cl+][Ir-3]24([Cl+]1)(c1ccccc1c1[n+]4cccc1)c1ccccc1c1[n+]2cccc1)c1ccccc1c1[n+]3cccc1
• InChI: InChI=1S/4C11H8N.2Cl.2Ir/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*1-6,8-9H;;;;/q;;;;2*+1;2*-1
• InChIKey: JABCWDZZTQAXPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1λ^3,3λ^3,7'λ^5,7''λ^5,7'''λ^5,7''''λ^5-dispiro[1λ^3,3λ^3-dichlora-2,4-diiridacyclobutane-2,8':2,8'':4,8''':4,8''''-tetrakis([7λ^5]aza-[8]iridatricyclo[7.4.0.0^2,^7]tridecane)]-1'(13'),1''(13''),1'''(13'''),1''''(13''''),2'(7'),2'',2''',2'''',3',4'',4''',4'''',5',6'',6''',6'''',9',9'',9''',9'''',11',11'',11''',11''''-tetracosaene-1,3,7',7'',7''',7''''-hexakis(ylium)-2,2,2,4,4,4-hexauide
• IUPAC Traditional name: 1λ^3,3λ^3,7'λ^5,7''λ^5,7'''λ^5,7''''λ^5-dispiro[1λ^3,3λ^3-dichlora-2,4-diiridacyclobutane-2,8':2,8'':4,8''':4,8''''-tetrakis([7λ^5]aza-[8]iridatricyclo[7.4.0.0^2,^7]tridecane)]-1'(13'),1''(13''),1'''(13'''),1''''(13''''),2'(7'),2'',2''',2'''',3',4'',4''',4'''',5',6'',6''',6'''',9',9'',9''',9'''',11',11'',11''',11''''-tetracosaene-1,3,7',7'',7''',7''''-hexakis(ylium)-2,2,2,4,4,4-hexauide
• Synonyms: [(ppy)2IrCl]2; Dichlorotetrakis[2-(2-pyridyl)phenyl]diiridium(III); 二氯四[2-(2-吡啶基)苯基]二铱(III)

Database IDs

• CAS Number: 92220-65-0
• MDL Number: MFCD07784515
• PubChem SID: 180682055
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.9136968
• LogD (pH = 7.4): -1.9136968
• Log P: -1.9136968
• Molar Refractivity: 213.0746 cm^3
• Polarizability: 96.76191 Å^3
• Polar Surface Area: 15.52 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A