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15039-46-0 | 1,1':3',1'':3'',1''':4''',1'''':3'''',1'''''-Sexiphenyl (6CI,7CI,8CI,9CI)
CAS No: 15039-46-0 Catalog No: AG001MKQ MDL No:
Product Description
Catalog Number:
AG001MKQ
Chemical Name:
1,1':3',1'':3'',1''':4''',1'''':3'''',1'''''-Sexiphenyl (6CI,7CI,8CI,9CI)
CAS Number:
15039-46-0
Molecular Formula:
C36H26
Molecular Weight:
458.5916
IUPAC Name:
1-phenyl-3-[3-[4-(3-phenylphenyl)phenyl]phenyl]benzene
InChI:
InChI=1S/C36H26/c1-3-10-27(11-4-1)31-14-7-16-33(24-31)29-20-22-30(23-21-29)34-17-9-19-36(26-34)35-18-8-15-32(25-35)28-12-5-2-6-13-28/h1-26H
InChI Key:
XEJIMNGUUFAQMU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cccc(c1)c1ccc(cc1)c1cccc(c1)c1cccc(c1)c1ccccc1
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.203g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.604g/mol
Monoisotopic Mass:
458.203g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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