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139456-98-7 | Cyclohexanone, 2,6-bis[[4-(diphenylamino)phenyl]methylene]-
CAS No: 139456-98-7 Catalog No: AG001B1Q MDL No:
Product Description
Catalog Number:
AG001B1Q
Chemical Name:
Cyclohexanone, 2,6-bis[[4-(diphenylamino)phenyl]methylene]-
CAS Number:
139456-98-7
Molecular Formula:
C44H36N2O
Molecular Weight:
608.7694
IUPAC Name:
2,6-bis[[4-(N-phenylanilino)phenyl]methylidene]cyclohexan-1-one
InChI:
InChI=1S/C44H36N2O/c47-44-36(32-34-24-28-42(29-25-34)45(38-16-5-1-6-17-38)39-18-7-2-8-19-39)14-13-15-37(44)33-35-26-30-43(31-27-35)46(40-20-9-3-10-21-40)41-22-11-4-12-23-41/h1-12,16-33H,13-15H2
InChI Key:
YTZGDIFDHZGMID-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccc(cc2)N(c2ccccc2)c2ccccc2)CCCC1=Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
905
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
608.283g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
608.785g/mol
Monoisotopic Mass:
608.283g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
11.5
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