tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene

C175H110Cl24N24O8S4V3 — CID 160885917

About tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene

tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene (PubChem CID 160885917) has the molecular formula C175H110Cl24N24O8S4V3 and a molecular weight of 3808.94 g/mol. Its IUPAC name is tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene.

Molecular Properties

• Compound Name: tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene
• PubChem CID: 160885917
• Molecular Formula: C175H110Cl24N24O8S4V3
• Molecular Weight: 3808.94 g/mol
• Exact Mass: 3794.87
• IUPAC Name: tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene
• SMILES: CCCCOc1c2c(c(C)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(C)c5ccccc5c(OCCCC)c41)-c1c-3c(OCCCC)c3ccccc3c1OCCCC)c1c(OCCCC)c3ccccc3c(C)c21.CSc1c2c(c(C)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(C)c5ccccc5c(SC)c41)-c1c-3c(SC)c3ccccc3c1C)c1c(SC)c3ccccc3c(C)c21.Clc1c(Cl)c(Cl)c2c(Cl)c3c(c(Cl)c2c1Cl)-c1nc-3nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(Cl)c5c(Cl)c(Cl)c(Cl)c(Cl)c5c(Cl)c41)-c1c-3c(Cl)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c1Cl)c1c(Cl)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c(Cl)c21.O=[V+2].O=[V+2].O=[V+2]
• InChI: InChI=1S/C71H70N8O5.C56H40N8S4.C48Cl24N8.3O.3V/c1-9-14-35-80-59-46-30-22-19-27-43(46)40(6)51-54(59)67-73-64(51)72-65-52-41(7)44-28-20-23-31-47(44)60(81-36-15-10-2)55(52)68(74-65)77-70-57-58(63(84-39-18-13-5)50-34-26-25-33-49(50)62(57)83-38-17-12-4)71(79-70)78-69-56-53(66(75-67)76-69)42(8)45-29-21-24-32-48(45)61(56)82-37-16-11-3;1-25-29-17-9-13-21-33(29)45(65-5)41-37(25)49-57-50-38-26(2)30-18-10-14-22-34(30)46(66-6)42(38)54(59-50)61-52-40-28(4)32-20-12-16-24-36(32)48(68-8)44(40)56(63-52)64-55-43-39(51(62-55)60-53(41)58-49)27(3)31-19-11-15-23-35(31)47(43)67-7;49-17-1-2(26(58)34(66)33(65)25(1)57)18(50)10-9(17)41-73-42(10)78-44-13-14(22(54)6-5(21(13)53)29(61)37(69)38(70)30(6)62)46(75-44)80-48-16-15(23(55)7-8(24(16)56)32(64)40(72)39(71)31(7)63)47(76-48)79-45-12-11(43(74-45)77-41)19(51)3-4(20(12)52)28(60)36(68)35(67)27(3)59;;;;;;/h19-34H,9-18,35-39H2,1-8H3;9-24H,1-8H3;;;;;;;/q3*-2;;;;3*+2
• InChIKey: CDYJJIXIUFCJQG-UHFFFAOYSA-N
• XLogP: 58.48
• TPSA: 413.98 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3808.94
LogP ≤ 5	58.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

The IUPAC name of tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene (CID 160885917) is tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene.

What is the SMILES notation for tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

The canonical SMILES for tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene is CCCCOc1c2c(c(C)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(C)c5ccccc5c(OCCCC)c41)-c1c-3c(OCCCC)c3ccccc3c1OCCCC)c1c(OCCCC)c3ccccc3c(C)c21.CSc1c2c(c(C)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(C)c5ccccc5c(SC)c41)-c1c-3c(SC)c3ccccc3c1C)c1c(SC)c3ccccc3c(C)c21.Clc1c(Cl)c(Cl)c2c(Cl)c3c(c(Cl)c2c1Cl)-c1nc-3nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(Cl)c5c(Cl)c(Cl)c(Cl)c(Cl)c5c(Cl)c41)-c1c-3c(Cl)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c1Cl)c1c(Cl)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c(Cl)c21.O=[V+2].O=[V+2].O=[V+2].

What is the InChIKey of tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

The InChIKey is CDYJJIXIUFCJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H70N8O5.C56H40N8S4.C48Cl24N8.3O.3V/c1-9-14-35-80-59-46-30-22-19-27-43(46)40(6)51-54(59)67-73-64(51)72-65-52-41(7)44-28-20-23-31-47(44)60(81-36-15-10-2)55(52)68(74-65)77-70-57-58(63(84-39-18-13-5)50-34-26-25-33-49(50)62(57)83-38-17-12-4)71(79-70)78-69-56-53(66(75-67)76-69)42(8)45-29-21-24-32-48(45)61(56)82-37-16-11-3;1-25-29-17-9-13-21-33(29)45(65-5)41-37(25)49-57-50-38-26(2)30-18-10-14-22-34(30)46(66-6)42(38)54(59-50)61-52-40-28(4)32-20-12-16-24-36(32)48(68-8)44(40)56(63-52)64-55-43-39(51(62-55)60-53(41)58-49)27(3)31-19-11-15-23-35(31)47(43)67-7;49-17-1-2(26(58)34(66)33(65)25(1)57)18(50)10-9(17)41-73-42(10)78-44-13-14(22(54)6-5(21(13)53)29(61)37(69)38(70)30(6)62)46(75-44)80-48-16-15(23(55)7-8(24(16)56)32(64)40(72)39(71)31(7)63)47(76-48)79-45-12-11(43(74-45)77-41)19(51)3-4(20(12)52)28(60)36(68)35(67)27(3)59;;;;;;/h19-34H,9-18,35-39H2,1-8H3;9-24H,1-8H3;;;;;;;/q3*-2;;;;3*+2.

What are the key properties of tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene has a molecular weight of 3808.94 g/mol, XLogP of 58.48, 24 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tris(oxovanadium(2+));5,18,38,44,51-pentabutoxy-12,25,31-trimethyl-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;5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-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(24),20,22,25,27(55),28,30,32(37),33,35,38,40,42(53),43,45(50),46,48,51-heptacosaene;5,18,38,51-tetramethyl-12,25,31,44-tetrakis(methylsulfanyl)-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(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene is sourced from PubChem (CID 160885917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).