19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene

C110H58S6 — CID 160559850

About 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene

19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene (PubChem CID 160559850) has the molecular formula C110H58S6 and a molecular weight of 1572.08 g/mol. Its IUPAC name is 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene.

Molecular Properties

• Compound Name: 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene
• PubChem CID: 160559850
• Molecular Formula: C110H58S6
• Molecular Weight: 1572.08 g/mol
• Exact Mass: 1570.29
• IUPAC Name: 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene
• SMILES: c1ccc2c3c(ccc2c1)Sc1ccc2c4c(c5ccccc5c-3c14)-c1c(ccc3ccccc13)S2.c1ccc2cc3c(cc2c1)Sc1ccc2c4c(c5ccccc5c-3c14)-c1cc3ccccc3cc1S2.c1ccc2cc3c4c(ccc3cc2c1)Sc1ccc2c3c(c5ccccc5c-4c13)-c1c(ccc3cc4ccccc4cc13)S2
• InChI: InChI=1S/C42H22S2.2C34H18S2/c1-3-9-25-21-31-27(19-23(25)7-1)13-15-33-37(31)39-29-11-5-6-12-30(29)40-38-32-22-26-10-4-2-8-24(26)20-28(32)14-16-34(38)44-36-18-17-35(43-33)41(39)42(36)40;1-3-9-21-19(7-1)13-15-25-29(21)31-23-11-5-6-12-24(23)32-30-22-10-4-2-8-20(22)14-16-26(30)36-28-18-17-27(35-25)33(31)34(28)32;1-3-9-21-17-29-25(15-19(21)7-1)31-23-11-5-6-12-24(23)32-26-16-20-8-2-4-10-22(20)18-30(26)36-28-14-13-27(35-29)33(31)34(28)32/h1-22H;2*1-18H
• InChIKey: QZDUZMJGQNXLAV-UHFFFAOYSA-N
• XLogP: 33.99
• TPSA: 0.00 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1572.08
LogP ≤ 5	33.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene?

The IUPAC name of 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene (CID 160559850) is 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene.

What is the SMILES notation for 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene?

The canonical SMILES for 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene is c1ccc2c3c(ccc2c1)Sc1ccc2c4c(c5ccccc5c-3c14)-c1c(ccc3ccccc13)S2.c1ccc2cc3c(cc2c1)Sc1ccc2c4c(c5ccccc5c-3c14)-c1cc3ccccc3cc1S2.c1ccc2cc3c4c(ccc3cc2c1)Sc1ccc2c3c(c5ccccc5c-4c13)-c1c(ccc3cc4ccccc4cc13)S2.

What is the InChIKey of 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene?

The InChIKey is QZDUZMJGQNXLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H22S2.2C34H18S2/c1-3-9-25-21-31-27(19-23(25)7-1)13-15-33-37(31)39-29-11-5-6-12-30(29)40-38-32-22-26-10-4-2-8-24(26)20-28(32)14-16-34(38)44-36-18-17-35(43-33)41(39)42(36)40;1-3-9-21-19(7-1)13-15-25-29(21)31-23-11-5-6-12-24(23)32-30-22-10-4-2-8-20(22)14-16-26(30)36-28-18-17-27(35-25)33(31)34(28)32;1-3-9-21-17-29-25(15-19(21)7-1)31-23-11-5-6-12-24(23)32-26-16-20-8-2-4-10-22(20)18-30(26)36-28-14-13-27(35-29)33(31)34(28)32/h1-22H;2*1-18H.

What are the key properties of 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene?

19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene has a molecular weight of 1572.08 g/mol, XLogP of 33.99, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.028,33]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;19,24-dithianonacyclo[18.14.2.02,7.08,36.09,18.011,16.023,35.025,34.027,32]hexatriaconta-1(35),2,4,6,8(36),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene;23,28-dithiaundecacyclo[22.18.2.02,7.08,44.09,22.010,19.012,17.027,43.029,42.032,41.034,39]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,24,26,29(42),30,32,34,36,38,40-henicosaene is sourced from PubChem (CID 160559850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).