(4E)-4-[3,4-Diphenyl-5-(1-Piperidiniumylidene)-2(5H)-Thiophenylidene]-2-[3,4-Diphenyl-5-(1-Piperidinyl)-2-Thienyl]-3-Oxo-1-Cyclobuten-1-Olate
[CAS# 137020-24-7]

Identification

• Name: (4E)-4-[3,4-Diphenyl-5-(1-Piperidiniumylidene)-2(5H)-Thiophenylidene]-2-[3,4-Diphenyl-5-(1-Piperidinyl)-2-Thienyl]-3-Oxo-1-Cyclobuten-1-Olate
• Synonyms: 1-(3,4-Diphenyl-5-piperidino-thien-2-yl)-3-(2,5-dihydro-3,4-diphenyl-5-[piperidin-1-ylidene-onium]-thien-2-ylidene)-2-oxo-cyclobuten-4-olate
• Molecular Formula: C₄₆H₄₀N₂O₂S₂
• Molecular Weight: 716.95
• CAS Registry Number: 137020-24-7
• SMILES: c1ccc(cc1)c2c(c(sc2C3=C(/C(=C\4/C(=C(C(=[N+]5CCCCC5)S4)c6ccccc6)c7ccccc7)/C3=O)[O-])N8CCCCC8)c9ccccc9
• InChI: 1S/C46H40N2O2S2/c49-41-39(43-35(31-19-7-1-8-20-31)37(33-23-11-3-12-24-33)45(51-43)47-27-15-5-16-28-47)42(50)40(41)44-36(32-21-9-2-10-22-32)38(34-25-13-4-14-26-34)46(52-44)48-29-17-6-18-30-48/h1-4,7-14,19-26H,5-6,15-18,27-30H2
• InChIKey: DKKCWGTYRKDIEI-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)