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Home > Other Heterocycles > 67608-71-3
67608-71-3 | 3-Oxa-7-azabicyclo[3.3.1]nonan-9-one, 2,4,6,8-tetraphenyl-
CAS No: 67608-71-3 Catalog No: AG006DFL MDL No:
Product Description
Catalog Number:
AG006DFL
Chemical Name:
3-Oxa-7-azabicyclo[3.3.1]nonan-9-one, 2,4,6,8-tetraphenyl-
CAS Number:
67608-71-3
Molecular Formula:
C31H27NO2
Molecular Weight:
445.5516
IUPAC Name:
2,4,6,8-tetraphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C31H27NO2/c33-29-25-27(21-13-5-1-6-14-21)32-28(22-15-7-2-8-16-22)26(29)31(24-19-11-4-12-20-24)34-30(25)23-17-9-3-10-18-23/h1-20,25-28,30-32H
InChI Key:
IBONGHOLTHILSV-UHFFFAOYSA-N
SMILES:
O=C1C2C(NC(C1C(OC2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.204g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
445.562g/mol
Monoisotopic Mass:
445.204g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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