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147694-81-3 | 1,1'-Biphenyl, 4,4'-bis[2,2-bis[4-(1,1-dimethylethyl)phenyl]ethenyl]-
CAS No: 147694-81-3 Catalog No: AG001F37 MDL No:
Product Description
Catalog Number:
AG001F37
Chemical Name:
1,1'-Biphenyl, 4,4'-bis[2,2-bis[4-(1,1-dimethylethyl)phenyl]ethenyl]-
CAS Number:
147694-81-3
Molecular Formula:
C56H62
Molecular Weight:
735.0915
IUPAC Name:
1-[2,2-bis(4-tert-butylphenyl)ethenyl]-4-[4-[2,2-bis(4-tert-butylphenyl)ethenyl]phenyl]benzene
InChI:
InChI=1S/C56H62/c1-53(2,3)47-29-21-43(22-30-47)51(44-23-31-48(32-24-44)54(4,5)6)37-39-13-17-41(18-14-39)42-19-15-40(16-20-42)38-52(45-25-33-49(34-26-45)55(7,8)9)46-27-35-50(36-28-46)56(10,11)12/h13-38H,1-12H3
InChI Key:
KBTBSJOSVYDBGF-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(=Cc1ccc(cc1)c1ccc(cc1)C=C(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)(C)C
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
734.485g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
735.112g/mol
Monoisotopic Mass:
734.485g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.5
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