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Home > Other Heterocycles > 88072-70-2
88072-70-2 | 6-Azabicyclo[3.1.0]hex-3-en-2-one, 1,3,4,5-tetraphenyl-
CAS No: 88072-70-2 Catalog No: AG004HQC MDL No:
Product Description
Catalog Number:
AG004HQC
Chemical Name:
6-Azabicyclo[3.1.0]hex-3-en-2-one, 1,3,4,5-tetraphenyl-
CAS Number:
88072-70-2
Molecular Formula:
C29H21NO
Molecular Weight:
399.4831
IUPAC Name:
1,3,4,5-tetraphenyl-6-azabicyclo[3.1.0]hex-3-en-2-one
InChI:
InChI=1S/C29H21NO/c31-27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(23-17-9-3-10-18-23)29(27,30-28)24-19-11-4-12-20-24/h1-20,30H
InChI Key:
JNPMNPCSZYYCKJ-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C2(C1(N2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.162g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.493g/mol
Monoisotopic Mass:
399.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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