PEPTC

CAS

67075-37-0

Catalog Number

ACM67075370

Category

Organic Thin-Film Transistor (OTFT)

Molecular Weight

598.6g/mol

Molecular Formula

C40H26N2O4

MSDS COA Spec Sheet

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Specification

Synonyms

1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis(2-phenylethyl)-Anthra[2;2-phenylethyl)-;N,N-DI(2-PHENYLETHYL)-PERYLENE-TETRACARBONIC ACID, AMIDE;2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-def]diisoquinoline-1,3,8,10(2H,9H)-tetrone;

IUPAC Name

7,18-bis(2-phenylethyl)-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

C1=CC=C(C=C1)CCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)CCC9=CC=CC=C9)C2=O

InChI

InChI=1S/C40H26N2O4/c43-37-29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)22-20-24-9-5-2-6-10-24)18-14-28(34(27)36)26-12-16-30(35(29)33(25)26)38(44)41(37)21-19-23-7-3-1-4-8-23/h1-18H,19-22H2

InChI Key

IIKSFQIOFHBWSO-UHFFFAOYSA-N

Complexity

1070

Covalently-Bonded Unit Count

EC Number

266-564-7

Exact Mass

598.189257g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

598.189257g/mol

Rotatable Bond Count

XLogP3

7.6

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

The molecular formula of PEPTC is C40H26N2O4.

What is the molecular weight of PEPTC?

The molecular weight of PEPTC is 598.6 g/mol.

When was PEPTC first created and modified?

PEPTC was first created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC name of PEPTC?

The IUPAC name of PEPTC is 7,18-bis(2-phenylethyl)-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 PEPTC?

The InChI of PEPTC is InChI=1S/C40H26N2O4/c43-37-29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)22-20-24-9-5-2-6-10-24)18-14-28(34(27)36)26-12-16-30(35(29)33(25)26)38(44)41(37)21-19-23-7-3-1-4-8-23/h1-18H,19-22H2.

How many hydrogen bond donor counts are present in PEPTC?

There are 0 hydrogen bond donor counts in PEPTC.

How many hydrogen bond acceptor counts are present in PEPTC?

There are 4 hydrogen bond acceptor counts in PEPTC.

What is the topological polar surface area of PEPTC?

The topological polar surface area of PEPTC is 74.8 Å².

How many rotatable bond counts are present in PEPTC?

There are 6 rotatable bond counts in PEPTC.

What is the XLogP3-AA value of PEPTC?

The XLogP3-AA value of PEPTC is 7.6.