PenPTC

• CAS: 76372-75-3
• Catalog Number: ACM76372753
• Category: Organic Photovoltaic (OPV)
• Molecular Weight: 530.621
• Molecular Formula: C₃₄H₃₀N₂O₄
• Synonyms: N N-DIPENTYL-3 4 9 10-PERYLENEDICARBOX&;2,9-Dipentyl-anthra2,1,9-def:6,5,10-defdiisoquinoline-1,3,8,10-tetrone;N,N′-dipentyl-perylene-3,4,9,10-tetracarboxylic acid diimide;N,N-Dipentyl-3,4,9,10-perylenedicarboximide;PenPTC;N,N-Dipentyl-3,4,9,10-perylenedi
• IUPAC Name: PTCDI-C5
• Canonical SMILES: CCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCC)C1=O
• InChI Key: JNZZCMNXYAOLTO-UHFFFAOYSA-N
• Boiling Point: 734.1ºC at 760 mmHg
• Melting Point: >300ºC
• Flash Point: 321.8ºC
• Density: 1.337 g/cm³
• Exact Mass: 530.22100
• Hazard Statements: Xi: Irritant
• Safety Description: 26-36

Custom Q&A

What is the molecular formula of PenPTC?

The molecular formula of PenPTC is C34H30N2O4.

What is the molecular weight of PenPTC?

The molecular weight of PenPTC is 530.6 g/mol.

When was PenPTC created in PubChem?

PenPTC was created in PubChem on February 8, 2007.

What is the IUPAC name of PenPTC?

The IUPAC name of PenPTC is 7,18-dipentyl-7,18-diazaheptacyclo[14.6.2.2 2,5 .0 3,12 .0 4,9 .0 13,23 .0 20,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.

What is the InChI of PenPTC?

The InChI of PenPTC is InChI=1S/C34H30N2O4/c1-3-5-7-17-35-31(37)23-13-9-19-21-11-15-25-30-26(34(40)36(33(25)39)18-8.

What is the InChIKey of PenPTC?

The InChIKey of PenPTC is JNZZCMNXYAOLTO-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does PenPTC have?

PenPTC has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of PenPTC?

The topological polar surface area of PenPTC is 74.8?2.

How many rotatable bond counts does PenPTC have?

PenPTC has 8 rotatable bond counts.

What is the canonical SMILES of PenPTC?

The canonical SMILES of PenPTC is CCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCC)C1=O.