dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene

C121H55Cl17Cu2N20O4 — CID 158173995

About dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene

dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene (PubChem CID 158173995) has the molecular formula C121H55Cl17Cu2N20O4 and a molecular weight of 2582.70 g/mol. Its IUPAC name is dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene.

Molecular Properties

• Compound Name: dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene
• PubChem CID: 158173995
• Molecular Formula: C121H55Cl17Cu2N20O4
• Molecular Weight: 2582.70 g/mol
• Exact Mass: 2571.80
• IUPAC Name: dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene
• SMILES: CCC1c2ccccc2-c2cc3c(cc21)Oc1c(Cl)c2c(c(Cl)c1=N3)Oc1cc3c(cc1N=2)c1ccccc1n3CC.Cc1c(Cl)c(Cl)c2c(c1Cl)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(Cl)c(Cl)c(Cl)c(Cl)c41)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1-3)c1c(Cl)c(Cl)c(Cl)c(Cl)c21.O=C1c2ccccc2Cc2cc3c(=O)c4ccccc4[nH]c3cc21.[Cu+2].[Cu+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
• InChI: InChI=1S/C35H23Cl2N3O2.C33H3Cl15N8.C32H16N8.C21H13NO2.2Cu/c1-3-17-18-9-5-6-10-19(18)21-13-24-28(15-22(17)21)41-34-30(36)33-35(31(37)32(34)38-24)42-29-16-27-23(14-25(29)39-33)20-11-7-8-12-26(20)40(27)4-2;1-2-11(34)3-4(13(36)12(2)35)27-49-26(3)50-28-5-6(15(38)21(44)20(43)14(5)37)30(52-28)54-32-9-10(19(42)25(48)24(47)18(9)41)33(56-32)55-31-8-7(29(51-27)53-31)16(39)22(45)23(46)17(8)40;1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;23-20-14-6-2-1-5-12(14)9-13-10-17-19(11-16(13)20)22-18-8-4-3-7-15(18)21(17)24;;/h5-17H,3-4H2,1-2H3;1H3;1-16H;1-8,10-11H,9H2,(H,22,24);;/q;2*-2;;2*+2
• InChIKey: FXUAXURHASAGGS-UHFFFAOYSA-N
• XLogP: 35.93
• TPSA: 309.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 2
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2582.70
LogP ≤ 5	35.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The IUPAC name of dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene (CID 158173995) is dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene.

What is the SMILES notation for dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The canonical SMILES for dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene is CCC1c2ccccc2-c2cc3c(cc21)Oc1c(Cl)c2c(c(Cl)c1=N3)Oc1cc3c(cc1N=2)c1ccccc1n3CC.Cc1c(Cl)c(Cl)c2c(c1Cl)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(Cl)c(Cl)c(Cl)c(Cl)c41)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1-3)c1c(Cl)c(Cl)c(Cl)c(Cl)c21.O=C1c2ccccc2Cc2cc3c(=O)c4ccccc4[nH]c3cc21.[Cu+2].[Cu+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.

What is the InChIKey of dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The InChIKey is FXUAXURHASAGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23Cl2N3O2.C33H3Cl15N8.C32H16N8.C21H13NO2.2Cu/c1-3-17-18-9-5-6-10-19(18)21-13-24-28(15-22(17)21)41-34-30(36)33-35(31(37)32(34)38-24)42-29-16-27-23(14-25(29)39-33)20-11-7-8-12-26(20)40(27)4-2;1-2-11(34)3-4(13(36)12(2)35)27-49-26(3)50-28-5-6(15(38)21(44)20(43)14(5)37)30(52-28)54-32-9-10(19(42)25(48)24(47)18(9)41)33(56-32)55-31-8-7(29(51-27)53-31)16(39)22(45)23(46)17(8)40;1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;23-20-14-6-2-1-5-12(14)9-13-10-17-19(11-16(13)20)22-18-8-4-3-7-15(18)21(17)24;;/h5-17H,3-4H2,1-2H3;1H3;1-16H;1-8,10-11H,9H2,(H,22,24);;/q;2*-2;;2*+2.

What are the key properties of dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene has a molecular weight of 2582.70 g/mol, XLogP of 35.93, 2 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dicopper;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22-triazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26,28,30,33-hexadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;5,6,7,8,14,15,16,17,23,24,25,26,32,33,35-pentadecachloro-34-methyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene is sourced from PubChem (CID 158173995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).