20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene

C162H92N6O6S — CID 157119359

About 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene

20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene (PubChem CID 157119359) has the molecular formula C162H92N6O6S and a molecular weight of 2250.62 g/mol. Its IUPAC name is 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene.

Molecular Properties

• Compound Name: 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene
• PubChem CID: 157119359
• Molecular Formula: C162H92N6O6S
• Molecular Weight: 2250.62 g/mol
• Exact Mass: 2248.68
• IUPAC Name: 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene
• SMILES: c1ccc2c(c1)cn1c2c2ccccc2c2ccc3c4ccccc4oc3c21.c1ccc2c(c1)cn1c2c2ccccc2c2ccc3oc4ccccc4c3c21.c1ccc2c(c1)cn1c3cc4c(cc3c3ccccc3c21)oc1ccccc14.c1ccc2c(c1)cn1c3cc4oc5ccccc5c4cc3c3ccccc3c21.c1ccc2c(c1)cn1c3ccc4c5ccccc5oc4c3c3c(ccc4c5ccccc5sc43)c21.c1ccc2c(c1)cn1c3ccc4oc5ccccc5c4c3c3ccccc3c21
• InChI: InChI=1S/C32H17NOS.5C26H15NO/c1-2-8-19-18(7-1)17-33-25-16-15-22-20-9-3-5-11-26(20)34-31(22)29(25)28-24(30(19)33)14-13-23-21-10-4-6-12-27(21)35-32(23)28;1-2-8-17-16(7-1)15-27-23-13-22-19-10-5-6-12-24(19)28-25(22)14-21(23)18-9-3-4-11-20(18)26(17)27;1-2-8-17-16(7-1)15-27-23-14-25-22(19-10-5-6-12-24(19)28-25)13-21(23)18-9-3-4-11-20(18)26(17)27;1-2-8-17-16(7-1)15-27-24(17)20-11-4-3-9-18(20)21-13-14-22-19-10-5-6-12-23(19)28-26(22)25(21)27;1-2-8-17-16(7-1)15-27-25(17)19-10-4-3-9-18(19)20-13-14-23-24(26(20)27)21-11-5-6-12-22(21)28-23;1-2-8-17-16(7-1)15-27-21-13-14-23-25(20-11-5-6-12-22(20)28-23)24(21)18-9-3-4-10-19(18)26(17)27/h1-17H;5*1-15H
• InChIKey: AHUBLYGHJGYYFB-UHFFFAOYSA-N
• XLogP: 46.16
• TPSA: 105.30 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2250.62
LogP ≤ 5	46.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene?

The IUPAC name of 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene (CID 157119359) is 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene.

What is the SMILES notation for 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene?

The canonical SMILES for 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene is c1ccc2c(c1)cn1c2c2ccccc2c2ccc3c4ccccc4oc3c21.c1ccc2c(c1)cn1c2c2ccccc2c2ccc3oc4ccccc4c3c21.c1ccc2c(c1)cn1c3cc4c(cc3c3ccccc3c21)oc1ccccc14.c1ccc2c(c1)cn1c3cc4oc5ccccc5c4cc3c3ccccc3c21.c1ccc2c(c1)cn1c3ccc4c5ccccc5oc4c3c3c(ccc4c5ccccc5sc43)c21.c1ccc2c(c1)cn1c3ccc4oc5ccccc5c4c3c3ccccc3c21.

What is the InChIKey of 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene?

The InChIKey is AHUBLYGHJGYYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17NOS.5C26H15NO/c1-2-8-19-18(7-1)17-33-25-16-15-22-20-9-3-5-11-26(20)34-31(22)29(25)28-24(30(19)33)14-13-23-21-10-4-6-12-27(21)35-32(23)28;1-2-8-17-16(7-1)15-27-23-13-22-19-10-5-6-12-24(19)28-25(22)14-21(23)18-9-3-4-11-20(18)26(17)27;1-2-8-17-16(7-1)15-27-23-14-25-22(19-10-5-6-12-24(19)28-25)13-21(23)18-9-3-4-11-20(18)26(17)27;1-2-8-17-16(7-1)15-27-24(17)20-11-4-3-9-18(20)21-13-14-22-19-10-5-6-12-23(19)28-26(22)25(21)27;1-2-8-17-16(7-1)15-27-25(17)19-10-4-3-9-18(19)20-13-14-23-24(26(20)27)21-11-5-6-12-22(21)28-23;1-2-8-17-16(7-1)15-27-21-13-14-23-25(20-11-5-6-12-22(20)28-23)24(21)18-9-3-4-10-19(18)26(17)27/h1-17H;5*1-15H.

What are the key properties of 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene?

20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene has a molecular weight of 2250.62 g/mol, XLogP of 46.16, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 20-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,21,23,25,27-tridecaene;21-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene;25-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene;26-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene;27-oxa-2-azaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene;34-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.027,35.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,27(35),28,30,32-hexadecaene is sourced from PubChem (CID 157119359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).