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126738-30-5 | 1,3,5-Benzenetriamine, N1,N1,N3,N3,N5,N5-hexakis(4-methoxyphenyl)-
CAS No: 126738-30-5 Catalog No: AG000T5M MDL No:
Product Description
Catalog Number:
AG000T5M
Chemical Name:
1,3,5-Benzenetriamine, N1,N1,N3,N3,N5,N5-hexakis(4-methoxyphenyl)-
CAS Number:
126738-30-5
Molecular Formula:
C48H45N3O6
Molecular Weight:
759.8874
IUPAC Name:
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(4-methoxyphenyl)benzene-1,3,5-triamine
InChI:
InChI=1S/C48H45N3O6/c1-52-43-19-7-34(8-20-43)49(35-9-21-44(53-2)22-10-35)40-31-41(50(36-11-23-45(54-3)24-12-36)37-13-25-46(55-4)26-14-37)33-42(32-40)51(38-15-27-47(56-5)28-16-38)39-17-29-48(57-6)30-18-39/h7-33H,1-6H3
InChI Key:
UZZOYXJHEMJULX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(c1ccc(cc1)OC)c1cc(cc(c1)N(c1ccc(cc1)OC)c1ccc(cc1)OC)N(c1ccc(cc1)OC)c1ccc(cc1)OC
Properties
Complexity:
895
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
759.331g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
759.903g/mol
Monoisotopic Mass:
759.331g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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