200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 191-53-7
191-53-7 | Tetrabenzo[a,cd,j,lm]perylene
CAS No: 191-53-7 Catalog No: AG002EZG MDL No:
Product Description
Catalog Number:
AG002EZG
Chemical Name:
Tetrabenzo[a,cd,j,lm]perylene
CAS Number:
191-53-7
Molecular Formula:
C34H18
Molecular Weight:
426.5067
IUPAC Name:
nonacyclo[18.10.2.22,5.03,16.04,9.010,15.017,31.024,32.025,30]tetratriaconta-1(31),2,4,6,8,10,12,14,16,18,20(32),21,23,25,27,29,33-heptadecaene
InChI:
InChI=1S/C34H18/c1-3-11-25-21(9-1)23-13-5-7-19-15-18-28-32-26-12-4-2-10-22(26)24-14-6-8-20-16-17-27(34(32)30(20)24)31(25)33(28)29(19)23/h1-18H
InChI Key:
KUYLRUBFWCGZHL-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1c3ccc4c5c3c(c3c1c1c2cccc1cc3)c1c(c5ccc4)cccc1
Properties
Complexity:
732
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.141g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.518g/mol
Monoisotopic Mass:
426.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
Literature
| Title | Journal |
|---|---|
| Overcrowding motifs in large PAHs. An ab initio study. | The Journal of organic chemistry 20020111 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.