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88241-93-4 | 1,1':3',1'':3'',1''':3''',1''''-Quinquephenyl, 5''-[1,1'-biphenyl]-3-yl-
CAS No: 88241-93-4 Catalog No: AG004AN1 MDL No:
Product Description
Catalog Number:
AG004AN1
Chemical Name:
1,1':3',1'':3'',1''':3''',1''''-Quinquephenyl, 5''-[1,1'-biphenyl]-3-yl-
CAS Number:
88241-93-4
Molecular Formula:
C42H30
Molecular Weight:
534.6876
IUPAC Name:
1,3,5-tris(3-phenylphenyl)benzene
InChI:
InChI=1S/C42H30/c1-4-13-31(14-5-1)34-19-10-22-37(25-34)40-28-41(38-23-11-20-35(26-38)32-15-6-2-7-16-32)30-42(29-40)39-24-12-21-36(27-39)33-17-8-3-9-18-33/h1-30H
InChI Key:
IXUNCYSWNLFGET-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cccc(c1)c1cc(cc(c1)c1cccc(c1)c1ccccc1)c1cccc(c1)c1ccccc1
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.235g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
534.702g/mol
Monoisotopic Mass:
534.235g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7
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