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16877-21-7 | Benzenamine, N,N'-(1,3-diphenyl-1,3-diazetidine-2,4-diylidene)bis- (9CI)
CAS No: 16877-21-7 Catalog No: AG001YAK MDL No:
Product Description
Catalog Number:
AG001YAK
Chemical Name:
Benzenamine, N,N'-(1,3-diphenyl-1,3-diazetidine-2,4-diylidene)bis- (9CI)
CAS Number:
16877-21-7
Molecular Formula:
C26H20N4
Molecular Weight:
388.4638
IUPAC Name:
2-N,4-N,1,3-tetraphenyl-1,3-diazetidine-2,4-diimine
InChI:
InChI=1S/C26H20N4/c1-5-13-21(14-6-1)27-25-29(23-17-9-3-10-18-23)26(28-22-15-7-2-8-16-22)30(25)24-19-11-4-12-20-24/h1-20H
InChI Key:
KZHSCRQJABAQFQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1C(=Nc2ccccc2)N(C1=Nc1ccccc1)c1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.169g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.474g/mol
Monoisotopic Mass:
388.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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