10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene

C128H68N4O4S4 — CID 157121851

About 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene

10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene (PubChem CID 157121851) has the molecular formula C128H68N4O4S4 and a molecular weight of 1854.24 g/mol. Its IUPAC name is 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene.

Molecular Properties

• Compound Name: 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene
• PubChem CID: 157121851
• Molecular Formula: C128H68N4O4S4
• Molecular Weight: 1854.24 g/mol
• Exact Mass: 1852.41
• IUPAC Name: 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene
• SMILES: c1ccc2c(c1)cn1c2c2ccc3oc4ccccc4c3c2c2ccc3c4ccccc4sc3c21.c1ccc2c(c1)cn1c3cc4c(cc3c3cc5oc6ccccc6c5cc3c21)sc1ccccc14.c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3cc4c(cc3c21)oc1ccccc14.c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3cc4oc5ccccc5c4cc3c21
• InChI: InChI=1S/4C32H17NOS/c1-2-8-19-18(7-1)17-33-30(19)23-15-16-26-29(22-10-3-5-11-25(22)34-26)28(23)24-14-13-21-20-9-4-6-12-27(20)35-32(21)31(24)33;1-2-8-19-18(7-1)17-33-27-14-25-21-10-4-6-12-30(21)35-31(25)16-23(27)22-15-29-24(13-26(22)32(19)33)20-9-3-5-11-28(20)34-29;1-2-8-19-18(7-1)17-33-26-14-13-22-21-10-4-6-12-29(21)35-32(22)30(26)24-16-28-23(15-25(24)31(19)33)20-9-3-5-11-27(20)34-28;1-2-8-19-18(7-1)17-33-26-14-13-22-21-10-4-6-12-29(21)35-32(22)30(26)24-15-23-20-9-3-5-11-27(20)34-28(23)16-25(24)31(19)33/h4*1-17H
• InChIKey: AIBIQKSLZILGMD-UHFFFAOYSA-N
• XLogP: 38.66
• TPSA: 70.20 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1854.24
LogP ≤ 5	38.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene?

The IUPAC name of 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene (CID 157121851) is 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene.

What is the SMILES notation for 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene?

The canonical SMILES for 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene is c1ccc2c(c1)cn1c2c2ccc3oc4ccccc4c3c2c2ccc3c4ccccc4sc3c21.c1ccc2c(c1)cn1c3cc4c(cc3c3cc5oc6ccccc6c5cc3c21)sc1ccccc14.c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3cc4c(cc3c21)oc1ccccc14.c1ccc2c(c1)cn1c3ccc4c5ccccc5sc4c3c3cc4oc5ccccc5c4cc3c21.

What is the InChIKey of 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene?

The InChIKey is AIBIQKSLZILGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C32H17NOS/c1-2-8-19-18(7-1)17-33-30(19)23-15-16-26-29(22-10-3-5-11-25(22)34-26)28(23)24-14-13-21-20-9-4-6-12-27(20)35-32(21)31(24)33;1-2-8-19-18(7-1)17-33-27-14-25-21-10-4-6-12-30(21)35-31(25)16-23(27)22-15-29-24(13-26(22)32(19)33)20-9-3-5-11-28(20)34-29;1-2-8-19-18(7-1)17-33-26-14-13-22-21-10-4-6-12-29(21)35-32(22)30(26)24-16-28-23(15-25(24)31(19)33)20-9-3-5-11-27(20)34-28;1-2-8-19-18(7-1)17-33-26-14-13-22-21-10-4-6-12-29(21)35-32(22)30(26)24-15-23-20-9-3-5-11-27(20)34-28(23)16-25(24)31(19)33/h4*1-17H.

What are the key properties of 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene?

10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene has a molecular weight of 1854.24 g/mol, XLogP of 38.66, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10-oxa-26-thia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene;27-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-oxa-20-thia-10-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.014,19.026,34.028,33]pentatriaconta-1(24),2,4,6,8,11(23),12,14,16,18,21,25,28,30,32,34-hexadecaene;33-oxa-4-thia-15-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene is sourced from PubChem (CID 157121851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).