Synonyms
(S)-[4-(Pyridin-4-yl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepine-2,6-diyl]bis(diphenylmethanol);1883396-47-1;SCHEMBL17543839;P2617;J3.498.162K;J3.529.738C;2,2'-((4-Pyridylimino)bismethylene)-1,1'-bi(3-(alpha-hydroxybenzhydryl)naphthalene);(aS)-4-(4-Pyridinyl)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]azepine-2,6-bis(diphenylmethanol);
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;
Molecular Weight
736.915g/mol
Molecular Formula
C53H40N2O2;
Canonical SMILES
C1C2=C(C3=CC=CC=C3C=C2C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C6=C(CN1C7=CC=NC=C7)C(=CC8=CC=CC=C86)C(C9=CC=CC=C9)(C1=CC=CC=C1)O;
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;
Complexity
1150
Covalently-Bonded Unit Count
1
Exact Mass
736.309g/mol
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
57
Monoisotopic Mass
736.309g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
56.6A^2
