PDCDT

• CAS: 83054-80-2
• Catalog Number: ACM83054802
• Category: Organic Photovoltaic (OPV)
• Molecular Weight: 767g/mol
• Molecular Formula: C52H50N2O4
• 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
• 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

Custom Q&A

What is the molecular formula of PDCDT according to the reference?

The molecular formula of PDCDT is C52H50N2O4.

When was PDCDT first created according to the reference?

PDCDT was first created on March 26, 2005.

What is the molecular weight of PDCDT according to the reference?

The molecular weight of PDCDT is 767.0 g/mol.

What are some synonyms of PDCDT mentioned in the reference?

Some synonyms of PDCDT are 83054-80-2, N,N'-Bis(2,5-di-tert-butylphenyl)-3,4,9,10-perylenedicarboximide, and Fluorescent perylene dye.

How many hydrogen bond acceptors does PDCDT have according to the reference?

PDCDT has 4 hydrogen bond acceptors.

What is the InChIKey of PDCDT according to the reference?

The InChIKey of PDCDT is BIYPCKKQAHLMHG-UHFFFAOYSA-N.

How many rotatable bond counts does PDCDT have according to the reference?

PDCDT has 6 rotatable bond counts.

What is the exact mass of PDCDT according to the reference?

The exact mass of PDCDT is 766.37705808 g/mol.

What is the topological polar surface area of PDCDT according to the reference?

The topological polar surface area of PDCDT is 74.8 Ų.

How many heavy atoms does PDCDT contain according to the reference?

PDCDT contains 58 heavy atoms.