5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene

C120H54N6O3S15 — CID 158271560

About 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene

5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene (PubChem CID 158271560) has the molecular formula C120H54N6O3S15 and a molecular weight of 2108.80 g/mol. Its IUPAC name is 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene.

Molecular Properties

• Compound Name: 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene
• PubChem CID: 158271560
• Molecular Formula: C120H54N6O3S15
• Molecular Weight: 2108.80 g/mol
• Exact Mass: 2106.01
• IUPAC Name: 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene
• SMILES: c1cc2c([nH]1)c1cscc1c1c2c2c3cscc3c3[nH]ccc3c2c2c3cscc3c3[nH]ccc3c12.c1cc2c(o1)c1cscc1c1c2c2c3cscc3c3occc3c2c2c3cscc3c3occc3c12.c1cc2c3c(c4cscc4n2c1)c1c(c2cscc2n2cccc12)c1c3c2cscc2n2cccc12.c1scc2c1c1cscc1c1c2c2c3cscc3c3cscc3c2c2c3cscc3c3cscc3c12
• InChI: InChI=1S/2C30H15N3S3.C30H12O3S3.C30H12S6/c1-4-31-28-13(1)22-25(16-7-34-10-19(16)28)23-14-2-6-33-30(14)21-12-36-9-18(21)27(23)24-15-3-5-32-29(15)20-11-35-8-17(20)26(22)24;1-4-19-28-25(16-10-34-13-22(16)31(19)7-1)29-20-5-2-9-33(20)24-15-36-12-18(24)27(29)30-21-6-3-8-32(21)23-14-35-11-17(23)26(28)30;1-4-31-28-13(1)22-25(16-7-34-10-19(16)28)23-14-2-6-33-30(14)21-12-36-9-18(21)27(23)24-15-3-5-32-29(15)20-11-35-8-17(20)26(22)24;1-13-14-2-32-8-20(14)26-25(19(13)7-31-1)27-21-9-33-3-15(21)16-4-35-11-23(16)29(27)30-24-12-36-6-18(24)17-5-34-10-22(17)28(26)30/h1-12,31-33H;1-15H;2*1-12H
• InChIKey: GJCAXOQKPKYEHA-UHFFFAOYSA-N
• XLogP: 43.25
• TPSA: 100.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2108.80
LogP ≤ 5	43.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene?

The IUPAC name of 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene (CID 158271560) is 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene.

What is the SMILES notation for 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene?

The canonical SMILES for 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene is c1cc2c([nH]1)c1cscc1c1c2c2c3cscc3c3[nH]ccc3c2c2c3cscc3c3[nH]ccc3c12.c1cc2c(o1)c1cscc1c1c2c2c3cscc3c3occc3c2c2c3cscc3c3occc3c12.c1cc2c3c(c4cscc4n2c1)c1c(c2cscc2n2cccc12)c1c3c2cscc2n2cccc12.c1scc2c1c1cscc1c1c2c2c3cscc3c3cscc3c2c2c3cscc3c3cscc3c12.

What is the InChIKey of 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene?

The InChIKey is GJCAXOQKPKYEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H15N3S3.C30H12O3S3.C30H12S6/c1-4-31-28-13(1)22-25(16-7-34-10-19(16)28)23-14-2-6-33-30(14)21-12-36-9-18(21)27(23)24-15-3-5-32-29(15)20-11-35-8-17(20)26(22)24;1-4-19-28-25(16-10-34-13-22(16)31(19)7-1)29-20-5-2-9-33(20)24-15-36-12-18(24)27(29)30-21-6-3-8-32(21)23-14-35-11-17(23)26(28)30;1-4-31-28-13(1)22-25(16-7-34-10-19(16)28)23-14-2-6-33-30(14)21-12-36-9-18(21)27(23)24-15-3-5-32-29(15)20-11-35-8-17(20)26(22)24;1-13-14-2-32-8-20(14)26-25(19(13)7-31-1)27-21-9-33-3-15(21)16-4-35-11-23(16)29(27)30-24-12-36-6-18(24)17-5-34-10-22(17)28(26)30/h1-12,31-33H;1-15H;2*1-12H.

What are the key properties of 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene?

5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene has a molecular weight of 2108.80 g/mol, XLogP of 43.25, 0 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10,17,22,29,34-hexathiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1,3,6,8,11,13,15,18,20,23,25,27,30,32,35-pentadecaene;9,21,33-trioxa-5,17,29-trithiadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene;5,17,29-trithia-8,20,32-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,9,11,14(25),15,18,21,23,27,30,33,35-pentadecaene;5,17,29-trithia-9,21,33-triazadecacyclo[24.10.0.02,13.03,7.08,12.014,25.015,19.020,24.027,31.032,36]hexatriaconta-1(26),2(13),3,6,8(12),10,14(25),15,18,20(24),22,27,30,32(36),34-pentadecaene is sourced from PubChem (CID 158271560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).