HepPTC

• CAS: 95689-91-1
• Catalog Number: ACM95689911
• Category: Organic Photovoltaic (OPV)
• Molecular Weight: 586.7g/mol
• Molecular Formula: C38H38N2O4
• 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
• 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

Custom Q&A

What is the molecular formula of HepPTC?

The molecular formula of HepPTC is C38H38N2O4.

What is the molecular weight of HepPTC?

The molecular weight of HepPTC is 586.7 g/mol.

What are some synonyms for HepPTC?

Some synonyms for HepPTC include 95689-91-1, n,n'-diheptyl-3,4,9,10-perylene dicarboximide, and Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-diheptyl.

What is the IUPAC name of HepPTC?

The IUPAC name of HepPTC is 7,18-diheptyl-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 InChIKey of HepPTC?

The InChIKey of HepPTC is WXLGICNTPAGZCR-UHFFFAOYSA-N.

How many hydrogen bond acceptors are there in HepPTC?

There are 4 hydrogen bond acceptors in HepPTC.

What is the topological polar surface area of HepPTC?

The topological polar surface area of HepPTC is 74.8 Å2.

How many rotatable bond counts are there in HepPTC?

There are 12 rotatable bond counts in HepPTC.

What is the exact mass of HepPTC?

The exact mass of HepPTC is 586.28315770 g/mol.

How many covalently-bonded unit counts are there in HepPTC?

There is 1 covalently-bonded unit count in HepPTC.