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126717-25-7 | 1,3,5-Benzenetriamine, N1,N3,N5-tris(4-methylphenyl)-N1,N3,N5-triphenyl-
CAS No: 126717-25-7 Catalog No: AG000T52 MDL No:
Product Description
Catalog Number:
AG000T52
Chemical Name:
1,3,5-Benzenetriamine, N1,N3,N5-tris(4-methylphenyl)-N1,N3,N5-triphenyl-
CAS Number:
126717-25-7
Molecular Formula:
C45H39N3
Molecular Weight:
621.8113
IUPAC Name:
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
InChI:
InChI=1S/C45H39N3/c1-34-19-25-40(26-20-34)46(37-13-7-4-8-14-37)43-31-44(47(38-15-9-5-10-16-38)41-27-21-35(2)22-28-41)33-45(32-43)48(39-17-11-6-12-18-39)42-29-23-36(3)24-30-42/h4-33H,1-3H3
InChI Key:
RHXRMCCXZZIHDQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N(c1ccccc1)c1cc(cc(c1)N(c1ccc(cc1)C)c1ccccc1)N(c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
778
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
621.314g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
621.828g/mol
Monoisotopic Mass:
621.314g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.7
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