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16716-11-3 | 1,1':3',1'':3'',1''':3''',1'''':3'''',1''''':3''''',1'''''':3'''''',1'''''''-Octiphenyl
CAS No: 16716-11-3 Catalog No: AG001X6W MDL No:
Product Description
Catalog Number:
AG001X6W
Chemical Name:
1,1':3',1'':3'',1''':3''',1'''':3'''',1''''':3''''',1'''''':3'''''',1'''''''-Octiphenyl
CAS Number:
16716-11-3
Molecular Formula:
C48H34
Molecular Weight:
610.7836
IUPAC Name:
1-phenyl-3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
InChI:
InChI=1S/C48H34/c1-3-13-35(14-4-1)37-17-7-19-39(29-37)41-21-9-23-43(31-41)45-25-11-27-47(33-45)48-28-12-26-46(34-48)44-24-10-22-42(32-44)40-20-8-18-38(30-40)36-15-5-2-6-16-36/h1-34H
InChI Key:
QJOBYJDULSYRSC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cccc(c1)c1cccc(c1)c1cccc(c1)c1cccc(c1)c1cccc(c1)c1cccc(c1)c1ccccc1
Properties
Complexity:
862
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.266g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
610.8g/mol
Monoisotopic Mass:
610.266g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.3
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