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247171-66-0 | Benzenamine, 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tris[N,N-diphenyl-
CAS No: 247171-66-0 Catalog No: AG002P6Q MDL No:
Product Description
Catalog Number:
AG002P6Q
Chemical Name:
Benzenamine, 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tris[N,N-diphenyl-
CAS Number:
247171-66-0
Molecular Formula:
C57H42N6
Molecular Weight:
810.9836
IUPAC Name:
4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline
InChI:
InChI=1S/C57H42N6/c1-7-19-46(20-8-1)61(47-21-9-2-10-22-47)52-37-31-43(32-38-52)55-58-56(44-33-39-53(40-34-44)62(48-23-11-3-12-24-48)49-25-13-4-14-26-49)60-57(59-55)45-35-41-54(42-36-45)63(50-27-15-5-16-28-50)51-29-17-6-18-30-51/h1-42H
InChI Key:
NKCRNWXHQSMOSX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
810.347g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
811.005g/mol
Monoisotopic Mass:
810.347g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.7
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