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872118-06-4 | 1,1':2',1''-Terphenyl, 3-bromo-3',4',5'-triphenyl-
CAS No: 872118-06-4 Catalog No: AG004N25 MDL No:
Product Description
Catalog Number:
AG004N25
Chemical Name:
1,1':2',1''-Terphenyl, 3-bromo-3',4',5'-triphenyl-
CAS Number:
872118-06-4
Molecular Formula:
C36H25Br
Molecular Weight:
537.4877
IUPAC Name:
1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene
InChI:
InChI=1S/C36H25Br/c37-31-23-13-22-30(24-31)33-25-32(26-14-5-1-6-15-26)34(27-16-7-2-8-17-27)36(29-20-11-4-12-21-29)35(33)28-18-9-3-10-19-28/h1-25H
InChI Key:
MRSNVLFTSZWJOA-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1cc(c2ccccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.114g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
537.5g/mol
Monoisotopic Mass:
536.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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