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16143-36-5 | 6,6'-Bibenzoxazole, 2,2'-bis[4-(2-phenylethenyl)phenyl]-
CAS No: 16143-36-5 Catalog No: AG001SHK MDL No:
Product Description
Catalog Number:
AG001SHK
Chemical Name:
6,6'-Bibenzoxazole, 2,2'-bis[4-(2-phenylethenyl)phenyl]-
CAS Number:
16143-36-5
Molecular Formula:
C42H28N2O2
Molecular Weight:
592.6839
IUPAC Name:
2-[4-(2-phenylethenyl)phenyl]-6-[2-[4-(2-phenylethenyl)phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazole
InChI:
InChI=1S/C42H28N2O2/c1-3-7-29(8-4-1)11-13-31-15-19-33(20-16-31)41-43-37-25-23-35(27-39(37)45-41)36-24-26-38-40(28-36)46-42(44-38)34-21-17-32(18-22-34)14-12-30-9-5-2-6-10-30/h1-28H
InChI Key:
RWUDDQGWILXKSC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cc(cc2)c1ccc2c(c1)oc(n2)c1ccc(cc1)C=Cc1ccccc1
Properties
Complexity:
919
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.215g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.698g/mol
Monoisotopic Mass:
592.215g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
11.1
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