Agn-PC-0LP50E structure

Agn-PC-0LP50E

11,23-dibromo-5-N,17-N-dimethyl-5-N,17-N-dinaphthalen-1-yl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,17-dicarboxamide

Also Known As: AGN-PC-0LP50E|J1.079.622I|11,23-dibromo-N5,N17-dimethyl-N5,N17-bis(naphthalen-1-yl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxamide|3~5~,7~5~-Dibromo-N~1^5~,N~5^5~-dimethyl-N~1^5~,N~5^5~-di(naphthalen-1-yl)-1~2~,3~2~,5~2~,7~2~-tetrapropoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1~5~,5~5~-dicarboxamide|N,N -Dimethyl-N,N -di(1-naphthyl)-11,23-dibromo-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-5,17-dicarboxamide

CAS: 7233-22-9
Molecular Formula C64H64Br2N2O6
Molecular Weight 1114.3131 g/mol
LogP 15.903
Topological Polar Surface Area 77.54 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 16
Exact Mass 1114.3131
Monoisotopic Mass 1116.311
Heavy Atoms 74
Complexity 3039.5195

Chemical Identifiers

CAS Number 7233-22-9
SMILES CCCOC1=C2CC3=CC(=CC(=C3OCCC)CC4=C(C(=CC(=C4)C(=O)N(C)C5=CC=CC6=CC=CC=C65)CC7=C(C(=CC(=C7)Br)CC1=CC(=C2)C(=O)N(C)C8=CC=CC9=CC=CC=C98)OCCC)OCCC)Br

Product Overview

Agn-PC-0LP50E (CAS 7233-22-9), with molecular formula C64H64Br2N2O6 and molecular weight 1114.3131 g/mol. IUPAC: 11,23-dibromo-5-N,17-N-dimethyl-5-N,17-N-dinaphthalen-1-yl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,17-dicarboxamide.

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