CID5255892 structure

CID5255892

nickel(2+);2,4,10,12-tetramethyl-2,3,11,12-tetraza-22,25,26-triazanidapentacyclo[11.8.4.15,9.016,24.019,23]hexacosa-1(21),3,6,10,13,15,17,19,23-nonaene;dihydrate

CAS: 7238-70-2
Molecular Formula C23H28N7NiO2-
Molecular Weight 492.1658 g/mol
LogP 2.0159
Topological Polar Surface Area 136.5 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 0
Exact Mass 492.1658
Monoisotopic Mass 492.1658
Heavy Atoms 33
Complexity 1185.9257

Chemical Identifiers

CAS Number 7238-70-2
SMILES CC1=NN(C2=CC=C3C=CC4=CC=C([N-]C4=C3[N-]2)N(N=C(C5C=CCC1[N-]5)C)C)C.O.O.[Ni+2]

Product Overview

CID5255892 (CAS 7238-70-2), with molecular formula C23H28N7NiO2- and molecular weight 492.1658 g/mol. IUPAC: nickel(2+);2,4,10,12-tetramethyl-2,3,11,12-tetraza-22,25,26-triazanidapentacyclo[11.8.4.15,9.016,24.019,23]hexacosa-1(21),3,6,10,13,15,17,19,23-nonaene;dihydrate.

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