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13638-82-9 | Pyrene, 1,3,6,8-tetraphenyl-
CAS No: 13638-82-9 Catalog No: AG0011TR MDL No:MFCD00021662
Product Description
Catalog Number:
AG0011TR
Chemical Name:
Pyrene, 1,3,6,8-tetraphenyl-
CAS Number:
13638-82-9
Molecular Formula:
C40H26
Molecular Weight:
506.6344
MDL Number:
MFCD00021662
IUPAC Name:
1,3,6,8-tetraphenylpyrene
InChI:
InChI=1S/C40H26/c1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34/h1-26H
InChI Key:
SIJHJHYRYHIWFW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(c2ccccc2)c2c3c1ccc1c3c(cc2)c(cc1c1ccccc1)c1ccccc1
NSC Number:
84256
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.203g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.648g/mol
Monoisotopic Mass:
506.203g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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