19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene

C134H74O6 — CID 160626314

About 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene

19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene (PubChem CID 160626314) has the molecular formula C134H74O6 and a molecular weight of 1780.06 g/mol. Its IUPAC name is 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene.

Molecular Properties

• Compound Name: 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene
• PubChem CID: 160626314
• Molecular Formula: C134H74O6
• Molecular Weight: 1780.06 g/mol
• Exact Mass: 1778.55
• IUPAC Name: 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene
• SMILES: c1ccc(-c2ccc3c4c(c(-c5ccccc5)cc3c2)Oc2ccc3c5c(c6ccccc6c-4c25)-c2c(c(-c4ccccc4)cc4cc(-c5ccccc5)ccc24)O3)cc1.c1ccc2c3c(ccc2c1)-c1c2ccccc2c2c4c(ccc(c14)O3)Oc1ccc3ccccc3c1-2.c1ccc2c3c4c(ccc5c4c(c2c1)-c1c(c2ccccc2c2ccccc12)O5)Oc1c-3c2ccccc2c2ccccc12
• InChI: InChI=1S/C58H34O2.C42H22O2.C34H18O2/c1-5-15-35(16-6-1)39-25-27-43-41(31-39)33-47(37-19-9-3-10-20-37)57-53(43)51-45-23-13-14-24-46(45)52-54-44-28-26-40(36-17-7-2-8-18-36)32-42(44)34-48(38-21-11-4-12-22-38)58(54)60-50-30-29-49(59-57)55(51)56(50)52;1-5-15-27-23(11-1)25-13-3-9-19-31(25)41-37(27)35-29-17-7-8-18-30(29)36-38-28-16-6-2-12-24(28)26-14-4-10-20-32(26)42(38)44-34-22-21-33(43-41)39(35)40(34)36;1-3-9-21-19(7-1)14-16-26-30(21)31-24-12-6-5-11-23(24)29-25-15-13-20-8-2-4-10-22(20)34(25)36-28-18-17-27(35-26)33(31)32(28)29/h1-34H;1-22H;1-18H
• InChIKey: RHIPHWGOKYMBCF-UHFFFAOYSA-N
• XLogP: 38.51
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1780.06
LogP ≤ 5	38.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene?

The IUPAC name of 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene (CID 160626314) is 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene.

What is the SMILES notation for 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene?

The canonical SMILES for 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene is c1ccc(-c2ccc3c4c(c(-c5ccccc5)cc3c2)Oc2ccc3c5c(c6ccccc6c-4c25)-c2c(c(-c4ccccc4)cc4cc(-c5ccccc5)ccc24)O3)cc1.c1ccc2c3c(ccc2c1)-c1c2ccccc2c2c4c(ccc(c14)O3)Oc1ccc3ccccc3c1-2.c1ccc2c3c4c(ccc5c4c(c2c1)-c1c(c2ccccc2c2ccccc12)O5)Oc1c-3c2ccccc2c2ccccc12.

What is the InChIKey of 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene?

The InChIKey is RHIPHWGOKYMBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O2.C42H22O2.C34H18O2/c1-5-15-35(16-6-1)39-25-27-43-41(31-39)33-47(37-19-9-3-10-20-37)57-53(43)51-45-23-13-14-24-46(45)52-54-44-28-26-40(36-17-7-2-8-18-36)32-42(44)34-48(38-21-11-4-12-22-38)58(54)60-50-30-29-49(59-57)55(51)56(50)52;1-5-15-27-23(11-1)25-13-3-9-19-31(25)41-37(27)35-29-17-7-8-18-30(29)36-38-28-16-6-2-12-24(28)26-14-4-10-20-32(26)42(38)44-34-22-21-33(43-41)39(35)40(34)36;1-3-9-21-19(7-1)14-16-26-30(21)31-24-12-6-5-11-23(24)29-25-15-13-20-8-2-4-10-22(20)34(25)36-28-18-17-27(35-26)33(31)32(28)29/h1-34H;1-22H;1-18H.

What are the key properties of 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene?

19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene has a molecular weight of 1780.06 g/mol, XLogP of 38.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 19,24-dioxanonacyclo[18.14.2.02,7.08,36.09,18.010,15.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12,14,16,20,22,25(34),26,28,30,32-heptadecaene;23,28-dioxaundecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]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;13,17,26,30-tetraphenyl-19,24-dioxanonacyclo[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),9,11,13,15,17,20,22,25,27,29,31,33-heptadecaene is sourced from PubChem (CID 160626314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).