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839732-59-1 | Perylene, 3,10-bis(2,6-dimethylphenyl)-
CAS No: 839732-59-1 Catalog No: AG004UAH MDL No:
Product Description
Catalog Number:
AG004UAH
Chemical Name:
Perylene, 3,10-bis(2,6-dimethylphenyl)-
CAS Number:
839732-59-1
Molecular Formula:
C36H28
Molecular Weight:
460.6075
IUPAC Name:
3,10-bis(2,6-dimethylphenyl)perylene
InChI:
InChI=1S/C36H28/c1-21-9-5-10-22(2)33(21)29-17-19-31-32-20-18-30(34-23(3)11-6-12-24(34)4)28-16-8-14-26(36(28)32)25-13-7-15-27(29)35(25)31/h5-20H,1-4H3
InChI Key:
ONPGJYGFTLAKCZ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1c1ccc2c3c1cccc3c1c3c2ccc(c3ccc1)c1c(C)cccc1C)C
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.219g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.62g/mol
Monoisotopic Mass:
460.219g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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