copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene

C141H96CuF69N19O15S3V-2 — CID 159042466

About copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene

copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene (PubChem CID 159042466) has the molecular formula C141H96CuF69N19O15S3V-2 and a molecular weight of 3817.99 g/mol. Its IUPAC name is copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene.

Molecular Properties

• Compound Name: copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene
• PubChem CID: 159042466
• Molecular Formula: C141H96CuF69N19O15S3V-2
• Molecular Weight: 3817.99 g/mol
• Exact Mass: 3815.41
• IUPAC Name: copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene
• SMILES: CCCOc1c2c(c(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(OCCC)c5ccccc5c(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c41)-c1c-3c(OCCC)c3ccccc3c1OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(OCCC)c3ccccc3c(OCCC)c21.Cc1cc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2cc1C)-c1ccc(S(=O)(=O)N(CC(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)F)cc1-6)c1cc(S(=O)(=O)N(CC(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)F)c(C)cc51)-c1cc(S(=O)(=O)N(CC(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)F)c(C)cc1-4.O=[V+2].[Cu]
• InChI: InChI=1S/C81H63F27N8O8.C60H33F42N11O6S3.Cu.O.V/c1-6-30-117-54-38-19-11-12-20-39(38)55(118-31-7-2)47-46(54)62-109-63(47)111-65-49-52(60(44-25-17-14-22-41(44)57(49)120-33-9-4)123-36-28-71(84,85)74(90,91)77(96,97)80(103,104)105)68(113-65)116-69-53-50(58(121-34-10-5)42-23-15-18-26-45(42)61(53)124-37-29-72(86,87)75(92,93)78(98,99)81(106,107)108)66(115-69)114-67-51-48(64(110-62)112-67)56(119-32-8-3)40-21-13-16-24-43(40)59(51)122-35-27-70(82,83)73(88,89)76(94,95)79(100,101)102;1-20-7-26-27(8-21(20)2)37-105-36(26)103-35-25-6-5-24(120(114,115)111(14-43(61,62)49(73,74)55(85,86)87)15-44(63,64)50(75,76)56(88,89)90)11-30(25)40(104-35)110-42-32-13-34(122(118,119)113(18-47(69,70)53(81,82)59(97,98)99)19-48(71,72)54(83,84)60(100,101)102)23(4)10-29(32)39(109-42)108-41-31-12-33(22(3)9-28(31)38(106-37)107-41)121(116,117)112(16-45(65,66)51(77,78)57(91,92)93)17-46(67,68)52(79,80)58(94,95)96;;;/h11-26H,6-10,27-37H2,1-5H3;5-13H,14-19H2,1-4H3;;;/q2*-2;;;+2
• InChIKey: YXJPIGLSKPGOHI-UHFFFAOYSA-N
• XLogP: 42.60
• TPSA: 414.13 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 57
• Heavy Atoms: 249
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3817.99
LogP ≤ 5	42.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene?

The IUPAC name of copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene (CID 159042466) is copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene.

What is the SMILES notation for copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene?

The canonical SMILES for copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene is CCCOc1c2c(c(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(OCCC)c5ccccc5c(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c41)-c1c-3c(OCCC)c3ccccc3c1OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(OCCC)c3ccccc3c(OCCC)c21.Cc1cc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2cc1C)-c1ccc(S(=O)(=O)N(CC(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)F)cc1-6)c1cc(S(=O)(=O)N(CC(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)F)c(C)cc51)-c1cc(S(=O)(=O)N(CC(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)F)c(C)cc1-4.O=[V+2].[Cu].

What is the InChIKey of copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene?

The InChIKey is YXJPIGLSKPGOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H63F27N8O8.C60H33F42N11O6S3.Cu.O.V/c1-6-30-117-54-38-19-11-12-20-39(38)55(118-31-7-2)47-46(54)62-109-63(47)111-65-49-52(60(44-25-17-14-22-41(44)57(49)120-33-9-4)123-36-28-71(84,85)74(90,91)77(96,97)80(103,104)105)68(113-65)116-69-53-50(58(121-34-10-5)42-23-15-18-26-45(42)61(53)124-37-29-72(86,87)75(92,93)78(98,99)81(106,107)108)66(115-69)114-67-51-48(64(110-62)112-67)56(119-32-8-3)40-21-13-16-24-43(40)59(51)122-35-27-70(82,83)73(88,89)76(94,95)79(100,101)102;1-20-7-26-27(8-21(20)2)37-105-36(26)103-35-25-6-5-24(120(114,115)111(14-43(61,62)49(73,74)55(85,86)87)15-44(63,64)50(75,76)56(88,89)90)11-30(25)40(104-35)110-42-32-13-34(122(118,119)113(18-47(69,70)53(81,82)59(97,98)99)19-48(71,72)54(83,84)60(100,101)102)23(4)10-29(32)39(109-42)108-41-31-12-33(22(3)9-28(31)38(106-37)107-41)121(116,117)112(16-45(65,66)51(77,78)57(91,92)93)17-46(67,68)52(79,80)58(94,95)96;;;/h11-26H,6-10,27-37H2,1-5H3;5-13H,14-19H2,1-4H3;;;/q2*-2;;;+2.

What are the key properties of copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene?

copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene has a molecular weight of 3817.99 g/mol, XLogP of 42.60, 57 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for copper;6-N,6-N,15-N,15-N,34-N,34-N-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-7,16,24,25-tetramethyl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,34-trisulfonamide;oxovanadium(2+);5,18,51-tris(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-12,25,31,38,44-pentapropoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene is sourced from PubChem (CID 159042466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).