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Home > Other Heterocycles > 92674-23-2
92674-23-2 | 2,3-Diazaspiro[4.4]nona-1,6,8-triene, 1,3,4,6,7,8,9-heptaphenyl-
CAS No: 92674-23-2 Catalog No: AG006EXR MDL No:
Product Description
Catalog Number:
AG006EXR
Chemical Name:
2,3-Diazaspiro[4.4]nona-1,6,8-triene, 1,3,4,6,7,8,9-heptaphenyl-
CAS Number:
92674-23-2
Molecular Formula:
C49H36N2
Molecular Weight:
652.8235
IUPAC Name:
1,2,4,6,7,8,9-heptakis-phenyl-2,3-diazaspiro[4.4]nona-3,6,8-triene
InChI:
InChI=1S/C49H36N2/c1-8-22-36(23-9-1)43-44(37-24-10-2-11-25-37)46(39-28-14-4-15-29-39)49(45(43)38-26-12-3-13-27-38)47(40-30-16-5-17-31-40)50-51(42-34-20-7-21-35-42)48(49)41-32-18-6-19-33-41/h1-35,48H
InChI Key:
ZEJCXTRETJJONS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1N=C(C2(C1c1ccccc1)C(=C(C(=C2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
1190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
652.288g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
652.841g/mol
Monoisotopic Mass:
652.288g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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