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-2,15,28,41,53,54,55,56-octazatridecacyclo[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

C48H2Cl24N8 — CID 140881242

About 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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

5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-2,15,28,41,53,54,55,56-octazatridecacyclo[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 (PubChem CID 140881242) has the molecular formula C48H2Cl24N8 and a molecular weight of 1541.47 g/mol. Its IUPAC name is 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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.

Molecular Properties

• Compound Name: 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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
• PubChem CID: 140881242
• Molecular Formula: C48H2Cl24N8
• Molecular Weight: 1541.47 g/mol
• Exact Mass: 1529.29
• IUPAC Name: 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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
• SMILES: Clc1c(Cl)c(Cl)c2c(Cl)c3c(c(Cl)c2c1Cl)-c1nc-3nc2[nH]c(nc3nc(nc4[nH]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
• InChI: InChI=1S/C48H2Cl24N8/c49-17-1-2(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/h(H2,73,74,75,76,77,78,79,80)
• InChIKey: GFNPLWZNKMRUIF-UHFFFAOYSA-N
• XLogP: 27.16
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1541.47
LogP ≤ 5	27.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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?

The IUPAC name of 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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 (CID 140881242) is 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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.

What is the SMILES notation for 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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?

The canonical SMILES for 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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 is Clc1c(Cl)c(Cl)c2c(Cl)c3c(c(Cl)c2c1Cl)-c1nc-3nc2[nH]c(nc3nc(nc4[nH]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.

What is the InChIKey of 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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?

The InChIKey is GFNPLWZNKMRUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H2Cl24N8/c49-17-1-2(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/h(H2,73,74,75,76,77,78,79,80).

What are the key properties of 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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?

5,7,8,9,10,12,18,20,21,22,23,25,31,33,34,35,36,38,44,46,47,48,49,51-tetracosachloro-2,15,28,41,53,54,55,56-octazatridecacyclo[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 has a molecular weight of 1541.47 g/mol, XLogP of 27.16, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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-2,15,28,41,53,54,55,56-octazatridecacyclo[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 is sourced from PubChem (CID 140881242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).