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114154-04-0 | Benzene, 1,1',1'',1''',1''''-(1-butyl-1,3,5,7,9-nonanepentayl)pentakis- (9CI)
CAS No: 114154-04-0 Catalog No: AG000APA MDL No:
Product Description
Catalog Number:
AG000APA
Chemical Name:
Benzene, 1,1',1'',1''',1''''-(1-butyl-1,3,5,7,9-nonanepentayl)pentakis- (9CI)
CAS Number:
114154-04-0
Molecular Formula:
C43H48
Molecular Weight:
564.8412
IUPAC Name:
1,3,7,9-tetraphenyltridecan-5-ylbenzene
InChI:
InChI=1S/C43H48/c1-2-3-21-40(36-22-11-5-12-23-36)32-42(38-26-15-7-16-27-38)34-43(39-28-17-8-18-29-39)33-41(37-24-13-6-14-25-37)31-30-35-19-9-4-10-20-35/h4-20,22-29,40-43H,2-3,21,30-34H2,1H3
InChI Key:
DSEMJVHUYUHBRP-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccccc1)CC(c1ccccc1)CC(c1ccccc1)CC(c1ccccc1)CCc1ccccc1
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.376g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
564.857g/mol
Monoisotopic Mass:
564.376g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
13.5
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