Synonyms
1,4,7,10-tetrabenzylcyclen
IUPAC Name
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
Molecular Weight
532.76
Molecular Formula
C36H44N4
Canonical SMILES
C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI
VXOJKUWHCFFUCO-UHFFFAOYSA-N
InChI Key
InChI=1S/C36H44N4/c1-5-13-33(14-6-1)29-37-21-23-38(30-34-15-7-2-8-16-34)25-27-40(32-36-19-11-4-12-20-36)28-26-39(24-22-37)31-35-17-9-3-10-18-35/h1-20H,21-32H2
Boiling Point
639.2±50.0 °C(Predicted)
Melting Point
140-142 ºC
Purity
97%
Complexity
517
Covalently-Bonded Unit Count
1
EC Number
449-410-5
Exact Mass
532.35659742
H-Bond Acceptor
4
Heavy Atom Count
40
Monoisotopic Mass
532.35659742
Rotatable Bond Count
8
Topological Polar Surface Area
13 Ų
