HepPTC

• Catalog Number: ACM95689911
• Product Name: HepPTC
• CAS: 95689-91-1
• Category: Organic Photovoltaic (OPV)
• Synonyms: N,N-DI(N-HEPTYL)-PERYLENE-TETRACARBONIC ACID, DIAMIDE;2,9-Di(n-heptyl)-anthra2,1,9-def.6,5,10-defdiisoquinoline-1,3,8,10-tetrone;N,N-Bis(n-heptyl)-3,4,9,10-perylenedicarboximide;HepPTC;N,N-diheptyl-3,4,9,10-perylenedicarboximide;2,9-Diheptylanthra[2,1,9-d
• IUPAC Name: 7,18-diheptyl-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: 586.7g/mol
• Molecular Formula: C38H38N2O4
• Canonical SMILES: CCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCC)C1=O
• InChI: InChI=1S/C38H38N2O4/c1-3-5-7-9-11-21-39-35(41)27-17-13-23-25-15-19-29-34-30(38(44)40(37(29)43)22-12-10-8-6-4-2)20-16-26(32(25)34)24-14-18-28(36(39)42)33(27)31(23)24/h13-20H,3-12,21-22H2,1-2H3
• InChI Key: WXLGICNTPAGZCR-UHFFFAOYSA-N
• Complexity: 966
• Covalently-Bonded Unit Count: 1
• Exact Mass: 586.283158g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 44
• Monoisotopic Mass: 586.283158g/mol
• Rotatable Bond Count: 12
• XLogP3: 9.5