CID6394272 structure

CID6394272

carbonic acid;bis(copper(1+));1,4,12,15,18,26,31,39-octazapentacyclo[13.13.13.16,10.120,24.133,37]tetratetraconta-6(44),7,9,20,22,24(43),33(42),34,36-nonaene

CAS: 7225-81-2
Molecular Formula C37H56Cu2N8O3+2
Molecular Weight 786.3067 g/mol
LogP 2.4732
Topological Polar Surface Area 136.19 Ų
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 9
Rotatable Bonds 0
Exact Mass 786.3067
Monoisotopic Mass 786.3067
Heavy Atoms 50
Complexity 1118.6207

Chemical Identifiers

CAS Number 7225-81-2
SMILES C1CN2CCNCC3=CC(=CC=C3)CNCCN(CCNCC4=CC=CC(=C4)CN1)CCNCC5=CC=CC(=C5)CNCC2.C(=O)(O)O.[Cu+].[Cu+]

Product Overview

CID6394272 (CAS 7225-81-2), with molecular formula C37H56Cu2N8O3+2 and molecular weight 786.3067 g/mol. IUPAC: carbonic acid;bis(copper(1+));1,4,12,15,18,26,31,39-octazapentacyclo[13.13.13.16,10.120,24.133,37]tetratetraconta-6(44),7,9,20,22,24(43),33(42),34,36-nonaene.

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