2,9-Di(pent-3-yl)anthra2,1,9-def:6,5,10-defdiisoquinoline-1,3,8,10-tetrone

• CAS: 110590-81-3
• Catalog Number: ACM110590813
• Category: Organic & Printed Electronics
• Molecular Weight: 530.6g/mol
• Molecular Formula: C34H30N2O4
• Synonyms: 2,9-Di(pent-3-yl)anthra2,1,9-def:6,5,10-defdiisoquinoline-1,3,8,10-tetrone;N,N-bis(1-ethylpropyl)-perylene-3,4,9,10-tetracarboxylic diiMide;PD|1EPr;Anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(1-ethylpropyl)-;N,N′-Bis(3-p
• IUPAC Name: 7,18-di(pentan-3-yl)-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
• Canonical SMILES: CCC(CC)N1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)C(CC)CC)C1=O
• InChI: InChI=1S/C34H30N2O4/c1-5-17(6-2)35-31(37)23-13-9-19-21-11-15-25-30-26(34(40)36(33(25)39)18(7-3)8-4)16-12-22(28(21)30)20-10-14-24(32(35)38)29(23)27(19)20/h9-18H,5-8H2,1-4H3
• InChI Key: AIPBSZJAQGGCPD-UHFFFAOYSA-N
• Complexity: 928
• Covalently-Bonded Unit Count: 1
• Exact Mass: 530.220557g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 40
• Monoisotopic Mass: 530.220557g/mol
• Rotatable Bond Count: 6
• XLogP3: 7.4