Ir-775 chloride

• CAS: 199444-11-6
• Catalog Number: ACM199444116
• Category: Organic & Printed Electronics
• Molecular Weight: 519.5g/mol
• Molecular Formula: C32H36Cl2N2
• Synonyms: 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2h-indol-2-ylidene)-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,3,3-trimethyl-3h-indolium chloride;IR-775 chloride;IR-775 chloride Dye content ~90 %;IR 775
• IUPAC Name: 2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;chloride
• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C.[Cl-]
• InChI: InChI=1S/C32H36ClN2.ClH/c1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;/h7-10,14-21H,11-13H2,1-6H3;1H/q+1;/p-1
• InChI Key: BPSIJFMUSNMMAL-UHFFFAOYSA-M
• Complexity: 931
• Covalently-Bonded Unit Count: 2
• Exact Mass: 518.225555g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 36
• Monoisotopic Mass: 518.225555g/mol
• Rotatable Bond Count: 3