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872714-32-4 | Anthracene, 1,8-diphenyl-10-[1,1':3',1''-terphenyl]-5'-yl-
CAS No: 872714-32-4 Catalog No: AG004PGK MDL No:
Product Description
Catalog Number:
AG004PGK
Chemical Name:
Anthracene, 1,8-diphenyl-10-[1,1':3',1''-terphenyl]-5'-yl-
CAS Number:
872714-32-4
Molecular Formula:
C44H30
Molecular Weight:
558.7090
IUPAC Name:
10-(3,5-diphenylphenyl)-1,8-diphenylanthracene
InChI:
InChI=1S/C44H30/c1-5-15-31(16-6-1)35-27-36(32-17-7-2-8-18-32)29-37(28-35)44-40-25-13-23-38(33-19-9-3-10-20-33)42(40)30-43-39(24-14-26-41(43)44)34-21-11-4-12-22-34/h1-30H
InChI Key:
GEZAOELVIUFQDB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(cc(c1)c1c2cccc(c2cc2c1cccc2c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.235g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.724g/mol
Monoisotopic Mass:
558.235g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.6
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