6,6'-((1E,1'E)-((1S,2S,4S,5S)-Bicyclo[2.2.1]heptane-2,5-diylbis(azanylylidene))bis(methanylylidene))bis(2,4-di-tert-butylphenol)

Catalog Number	ACM539834167-1
CAS	539834-16-7
Structure
Synonyms	(1S,2S,4S,5S)-2,5-Bis(3,5-di-tert-butyl-2-hydroxybenzylideneamino)bicyclo[2.2.1]heptane
IUPAC Name	2,4-ditert-butyl-6-[[(1S,2S,4S,5S)-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
Molecular Weight	558.85
Molecular Formula	C37H54N2O2
Canonical SMILES	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC2CC3CC2CC3N=CC4=C(C(=CC(=C4)C(C)(C)C)C(C)(C)C)O
InChI	WDMYJUKMBXUTIA-FPACPZPDSA-N
InChI Key	InChI=1S/C37H54N2O2/c1-34(2,3)26-14-24(32(40)28(18-26)36(7,8)9)20-38-30-16-23-13-22(30)17-31(23)39-21-25-15-27(35(4,5)6)19-29(33(25)41)37(10,11)12/h14-15,18-23,30-31,40-41H,13,16-17H2,1-12H3/t22-,23-,30-,31-/m0/s1
Boiling Point	625.1±55.0 °C(Predicted)
Melting Point	254 °C
Purity	98%
Exact Mass	558.41852897
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=N[C@H]2C[C@@H]3C[C@H]2C[C@@H]3N=CC4=C(C(=CC(=C4)C(C)(C)C)C(C)(C)C)O
Monoisotopic Mass	558.41852897
Rotatable Bond Count	8
Topological Polar Surface Area	65.2 Ų