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126717-23-5 | 1,3,5-Benzenetriamine, N1,N1,N3,N3,N5,N5-hexaphenyl-
CAS No: 126717-23-5 Catalog No: AG000T53 MDL No:MFCD08276845
Product Description
Catalog Number:
AG000T53
Chemical Name:
1,3,5-Benzenetriamine, N1,N1,N3,N3,N5,N5-hexaphenyl-
CAS Number:
126717-23-5
Molecular Formula:
C42H33N3
Molecular Weight:
579.7315
MDL Number:
MFCD08276845
IUPAC Name:
1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine
InChI:
InChI=1S/C42H33N3/c1-7-19-34(20-8-1)43(35-21-9-2-10-22-35)40-31-41(44(36-23-11-3-12-24-36)37-25-13-4-14-26-37)33-42(32-40)45(38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-33H
InChI Key:
DPFGGYIWNDCEJM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccccc1)c1cc(cc(c1)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
579.267g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
579.747g/mol
Monoisotopic Mass:
579.267g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6
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