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205105-80-2 | Benzene, 1,1',1'',1'''-methanetetrayltetrakis[4-[(1E)-2-phenylethenyl]- (9CI)
CAS No: 205105-80-2 Catalog No: AG0029VN MDL No:
Product Description
Catalog Number:
AG0029VN
Chemical Name:
Benzene, 1,1',1'',1'''-methanetetrayltetrakis[4-[(1E)-2-phenylethenyl]- (9CI)
CAS Number:
205105-80-2
Molecular Formula:
C57H44
Molecular Weight:
728.9593
IUPAC Name:
1-(2-phenylethenyl)-4-[tris[4-(2-phenylethenyl)phenyl]methyl]benzene
InChI:
InChI=1S/C57H44/c1-5-13-45(14-6-1)21-25-49-29-37-53(38-30-49)57(54-39-31-50(32-40-54)26-22-46-15-7-2-8-16-46,55-41-33-51(34-42-55)27-23-47-17-9-3-10-18-47)56-43-35-52(36-44-56)28-24-48-19-11-4-12-20-48/h1-44H
InChI Key:
DVQMJNAHDGSOBU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)/C=C/c1ccc(cc1)C(c1ccc(cc1)/C=C/c1ccccc1)(c1ccc(cc1)/C=C/c1ccccc1)c1ccc(cc1)/C=C/c1ccccc1
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
728.344g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
728.979g/mol
Monoisotopic Mass:
728.344g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
16
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