PDCDT

• Catalog Number: ACM83054802
• Product Name: PDCDT
• CAS: 83054-80-2
• Category: Organic Photovoltaic (OPV)
• Synonyms: N N-BIS(2 5-DI-T-BU-PHENYL)-3 4 9 10-;N,N-bis(2,5-di-T-bu-phenyl)-3,4,9,10-perylenedic;N,N-bis(2,5-di-T-butylphenyl)-3,4*9,10-perylened;N,N-BIS(2,5-DI-T-BU-PHENYL)-3,4,9,10-PE RYLENEDICARBOXIMIDE;2,9-BIS(2,5-BIS(1,1-DIMETHYLETHYL)PHENYL)-ANTRA(2,19-DEF:6,
• IUPAC Name: 7,18-bis(2,5-ditert-butylphenyl)-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: 767g/mol
• Molecular Formula: C52H50N2O4
• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=C(C=CC(=C9)C(C)(C)C)C(C)(C)C)C2=O
• InChI: InChI=1S/C52H50N2O4/c1-49(2,3)27-13-23-37(51(7,8)9)39(25-27)53-45(55)33-19-15-29-31-17-21-35-44-36(22-18-32(42(31)44)30-16-20-34(46(53)56)43(33)41(29)30)48(58)54(47(35)57)40-26-28(50(4,5)6)14-24-38(40)52(10,11)12/h13-26H,1-12H3
• InChI Key: BIYPCKKQAHLMHG-UHFFFAOYSA-N
• Complexity: 1480
• Covalently-Bonded Unit Count: 1
• Exact Mass: 766.377058g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 58
• Monoisotopic Mass: 766.377058g/mol
• NSC Number: 378138
• Rotatable Bond Count: 6
• XLogP3: 13.5