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1883396-47-1 | (S)-[4-(Pyridin-4-yl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepine-2,6-diyl]bis(diphenylmethanol)
CAS No: 1883396-47-1 Catalog No: AG00IMK5 MDL No:
Product Description
Catalog Number:
AG00IMK5
Chemical Name:
(S)-[4-(Pyridin-4-yl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepine-2,6-diyl]bis(diphenylmethanol)
CAS Number:
1883396-47-1
IUPAC Name:
[16-[hydroxy(diphenyl)methyl]-13-pyridin-4-yl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-diphenylmethanol
InChI:
InChI=1S/C53H40N2O2/c56-52(39-19-5-1-6-20-39,40-21-7-2-8-22-40)48-33-37-17-13-15-27-44(37)50-46(48)35-55(43-29-31-54-32-30-43)36-47-49(34-38-18-14-16-28-45(38)51(47)50)53(57,41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-34,56-57H,35-36H2
InChI Key:
MKYBHIRPEBDXBX-UHFFFAOYSA-N
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
736.309g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
736.915g/mol
Monoisotopic Mass:
736.309g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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