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82891-67-6 | 1,1',1'',1''',1'''',1'''''-propane-1,1,1,3,3,3-hexaylhexabenzene
CAS No: 82891-67-6 Catalog No: AG0054XV MDL No:
Product Description
Catalog Number:
AG0054XV
Chemical Name:
1,1',1'',1''',1'''',1'''''-propane-1,1,1,3,3,3-hexaylhexabenzene
CAS Number:
82891-67-6
Molecular Formula:
C39H32
Molecular Weight:
500.6714
IUPAC Name:
1,1,3,3,3-pentakis-phenylpropylbenzene
InChI:
InChI=1S/C39H32/c1-7-19-32(20-8-1)38(33-21-9-2-10-22-33,34-23-11-3-12-24-34)31-39(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H,31H2
InChI Key:
UVUJLQFGSIDCPN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(c1ccccc1)(c1ccccc1)CC(c1ccccc1)(c1ccccc1)c1ccccc1
NSC Number:
115673
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.25g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
500.685g/mol
Monoisotopic Mass:
500.25g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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