4ClPEPTC

• Catalog Number: ACM215726515
• Product Name: 4ClPEPTC
• CAS: 215726-51-5
• Category: Organic Thin-Film Transistor (OTFT)
• Synonyms: N,N-bis[2-(4-chloro-phenyl)-ethyl]-3,4,9,10-perylene tetradicarboxiMide;2,9-Bis[2-(4-chlorophenyl)ethyl]anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)tetrone
• IUPAC Name: 7,18-bis[2-(4-chlorophenyl)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• Molecular Weight: 667.5g/mol
• Molecular Formula: C40H24Cl2N2O4
• Canonical SMILES: C1=CC(=CC=C1CCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)CCC9=CC=C(C=C9)Cl)C2=O)Cl
• InChI: InChI=1S/C40H24Cl2N2O4/c41-23-5-1-21(2-6-23)17-19-43-37(45)29-13-9-25-27-11-15-31-36-32(40(48)44(39(31)47)20-18-22-3-7-24(42)8-4-22)16-12-28(34(27)36)26-10-14-30(38(43)46)35(29)33(25)26/h1-16H,17-20H2
• InChI Key: QSDATNMVYLQQKT-UHFFFAOYSA-N
• Complexity: 1140
• Covalently-Bonded Unit Count: 1
• Exact Mass: 666.111313g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 48
• Monoisotopic Mass: 666.111313g/mol
• Rotatable Bond Count: 6
• XLogP3: 8.9