N,N-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide

• CAS: 95689-92-2
• Catalog Number: ACM95689922
• Category: Organic & Printed Electronics
• Molecular Weight: 755.04
• Molecular Formula: C₅₀H₆₂N₂O₄
• Synonyms: N,N-DITRIDECYLPERYLENE-3,4,9,10-TETRACARBOXYLIC DIIMIDE;N N-DITRIDECYL-3 4 9 10-PERYLENETETRA-&;N,N-DITRIDECYL-3,4,9,10-PERYLENETETRA-C ARBOXYLIC DIIMIDE, 95%;N,N-DITRIDECYLPERYLENE-3,4,9,10-TETRACARBOXYLIC D
• IUPAC Name: 2,9-Ditridecylisoquinolino[4,5,6:6,5,10]anthra[2,1,9-def]isoqu inol...
• SMILES: CCCCCCCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCCCCCCC)C1=O
• InChI Key: XCAZCFDCJHGAIT-UHFFFAOYSA-N
• Boiling Point: 849.3ºC at 760 mmHg
• Melting Point: ≥300ºC
• Flash Point: 308ºC
• Density: 1.142g/cm³
• EC Number: 619-157-7
• Exact Mass: 754.47100
• Safety Description: S22-S24/25

Custom Q&A

What is the molecular formula of N,N-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide?

The molecular formula is C50H62N2O4.

What is the PubChem CID of N,N-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide?

The PubChem CID is 3295215.

What is the molecular weight of N,N-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide?

The molecular weight is 755.0 g/mol.

What is the IUPAC Name of N,N-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide?

The IUPAC Name is 7,18-di(tridecyl)-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.

What is the InChI of N,N-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide?

The InChI is InChI=1S/C50H62N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-33-51-47(53)39-29-25-35-37-27-31-41-46-42(32-28-38(44(37)46)36-26-30-40(48(51)54)45(39)43(35)36)50(56)52(49(41)55)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24,33-34H2,1-2H3.

What is the InChIKey of N,N-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide?

The InChIKey is XCAZCFDCJHGAIT-UHFFFAOYSA-N.

What is the Canonical SMILES of N,N-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide?

The Canonical SMILES is CCCCCCCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCCCCCCC)C1=O.

What is the CAS number of N,N-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide?

The CAS number is 95689-92-2.

What is the topological polar surface area of N,N-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide?

The topological polar surface area is 74.8Ų.