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16322-10-4 | 1,1':2',1'':3'',1''':2''',1''''-Quinquephenyl, 5''-[1,1'-biphenyl]-2-yl-
CAS No: 16322-10-4 Catalog No: AG001TVT MDL No:
Product Description
Catalog Number:
AG001TVT
Chemical Name:
1,1':2',1'':3'',1''':2''',1''''-Quinquephenyl, 5''-[1,1'-biphenyl]-2-yl-
CAS Number:
16322-10-4
Molecular Formula:
C42H30
Molecular Weight:
534.6876
IUPAC Name:
1,3,5-tris(2-phenylphenyl)benzene
InChI:
InChI=1S/C42H30/c1-4-16-31(17-5-1)37-22-10-13-25-40(37)34-28-35(41-26-14-11-23-38(41)32-18-6-2-7-19-32)30-36(29-34)42-27-15-12-24-39(42)33-20-8-3-9-21-33/h1-30H
InChI Key:
BVVMKZWXIROOHO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccccc1c1cc(cc(c1)c1ccccc1c1ccccc1)c1ccccc1c1ccccc1
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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