4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione

C130H65N5O15 — CID 165003552

About 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione

4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione (PubChem CID 165003552) has the molecular formula C130H65N5O15 and a molecular weight of 1936.97 g/mol. Its IUPAC name is 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione.

Molecular Properties

• Compound Name: 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione
• PubChem CID: 165003552
• Molecular Formula: C130H65N5O15
• Molecular Weight: 1936.97 g/mol
• Exact Mass: 1935.45
• IUPAC Name: 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione
• SMILES: O=c1c2ccccc2n2c3c1cccc3c(=O)c1ccc3c4ccccc4oc3c12.O=c1c2ccccc2n2c3c1cccc3c(=O)c1ccc3oc4ccccc4c3c12.O=c1c2ccccc2n2c3cc4c(cc3c(=O)c3cccc1c32)oc1ccccc14.O=c1c2ccccc2n2c3ccc4c5ccccc5oc4c3c(=O)c3cccc1c32.O=c1c2ccccc2n2c3ccc4oc5ccccc5c4c3c(=O)c3cccc1c32
• InChI: InChI=1S/5C26H13NO3/c28-25-15-7-1-3-10-20(15)27-21-12-18-14-6-2-4-11-22(14)30-23(18)13-19(21)26(29)17-9-5-8-16(25)24(17)27;28-24-16-7-1-3-10-20(16)27-22-17(24)8-5-9-18(22)25(29)19-13-12-15-14-6-2-4-11-21(14)30-26(15)23(19)27;28-24-16-7-1-3-10-19(16)27-20-13-12-15-14-6-2-4-11-21(14)30-26(15)22(20)25(29)18-9-5-8-17(24)23(18)27;28-25-14-6-1-3-10-19(14)27-23-16(25)8-5-9-17(23)26(29)18-12-13-21-22(24(18)27)15-7-2-4-11-20(15)30-21;28-25-14-6-1-3-10-18(14)27-19-12-13-21-22(15-7-2-4-11-20(15)30-21)23(19)26(29)17-9-5-8-16(25)24(17)27/h5*1-13H
• InChIKey: IPTNQIZZSWTHJY-UHFFFAOYSA-N
• XLogP: 27.28
• TPSA: 258.45 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1936.97
LogP ≤ 5	27.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione?

The IUPAC name of 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione (CID 165003552) is 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione.

What is the SMILES notation for 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione?

The canonical SMILES for 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione is O=c1c2ccccc2n2c3c1cccc3c(=O)c1ccc3c4ccccc4oc3c12.O=c1c2ccccc2n2c3c1cccc3c(=O)c1ccc3oc4ccccc4c3c12.O=c1c2ccccc2n2c3cc4c(cc3c(=O)c3cccc1c32)oc1ccccc14.O=c1c2ccccc2n2c3ccc4c5ccccc5oc4c3c(=O)c3cccc1c32.O=c1c2ccccc2n2c3ccc4oc5ccccc5c4c3c(=O)c3cccc1c32.

What is the InChIKey of 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione?

The InChIKey is IPTNQIZZSWTHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/5C26H13NO3/c28-25-15-7-1-3-10-20(15)27-21-12-18-14-6-2-4-11-22(14)30-23(18)13-19(21)26(29)17-9-5-8-16(25)24(17)27;28-24-16-7-1-3-10-20(16)27-22-17(24)8-5-9-18(22)25(29)19-13-12-15-14-6-2-4-11-21(14)30-26(15)23(19)27;28-24-16-7-1-3-10-19(16)27-20-13-12-15-14-6-2-4-11-21(14)30-26(15)22(20)25(29)18-9-5-8-17(24)23(18)27;28-25-14-6-1-3-10-19(14)27-23-16(25)8-5-9-17(23)26(29)18-12-13-21-22(24(18)27)15-7-2-4-11-20(15)30-21;28-25-14-6-1-3-10-18(14)27-19-12-13-21-22(15-7-2-4-11-20(15)30-21)23(19)26(29)17-9-5-8-16(25)24(17)27/h5*1-13H.

What are the key properties of 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione?

4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione has a molecular weight of 1936.97 g/mol, XLogP of 27.28, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione is sourced from PubChem (CID 165003552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).