(16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene

C89H86N12O7 — CID 157267728

About (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene

(16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene (PubChem CID 157267728) has the molecular formula C89H86N12O7 and a molecular weight of 1435.74 g/mol. Its IUPAC name is (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene.

Molecular Properties

• Compound Name: (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene
• PubChem CID: 157267728
• Molecular Formula: C89H86N12O7
• Molecular Weight: 1435.74 g/mol
• Exact Mass: 1434.67
• IUPAC Name: (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene
• SMILES: C1=C/COc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)COC/1.C1=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)CCC/1.C1=C\COc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)CCC/1.COc1ccc2cc1COC/C=C\COCc1cccc(c1)Nc1nccc-2n1
• InChI: InChI=1S/C23H23N3O3.C23H23N3O.C22H21N3O.C21H19N3O2/c1-27-22-8-7-18-14-19(22)16-29-12-3-2-11-28-15-17-5-4-6-20(13-17)25-23-24-10-9-21(18)26-23;1-2-4-8-18-9-6-11-20(16-18)25-23-24-14-13-22(26-23)19-10-7-12-21(17-19)27-15-5-3-1;1-2-4-14-26-20-11-6-9-18(16-20)21-12-13-23-22(25-21)24-19-10-5-8-17(15-19)7-3-1;1-2-12-26-19-8-4-6-17(14-19)20-9-10-22-21(24-20)23-18-7-3-5-16(13-18)15-25-11-1/h2-10,13-14H,11-12,15-16H2,1H3,(H,24,25,26);1,3,6-7,9-14,16-17H,2,4-5,8,15H2,(H,24,25,26);2,4-6,8-13,15-16H,1,3,7,14H2,(H,23,24,25);1-10,13-14H,11-12,15H2,(H,22,23,24)/b3-2-;3-1-;4-2-;2-1+
• InChIKey: AYEMBECPMALQRP-PAYRSMSVSA-N
• XLogP: 19.56
• TPSA: 215.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 1
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.74
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene?

The IUPAC name of (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene (CID 157267728) is (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene.

What is the SMILES notation for (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene?

The canonical SMILES for (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene is C1=C/COc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)COC/1.C1=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)CCC/1.C1=C\COc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)CCC/1.COc1ccc2cc1COC/C=C\COCc1cccc(c1)Nc1nccc-2n1.

What is the InChIKey of (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene?

The InChIKey is AYEMBECPMALQRP-PAYRSMSVSA-N. The full InChI is InChI=1S/C23H23N3O3.C23H23N3O.C22H21N3O.C21H19N3O2/c1-27-22-8-7-18-14-19(22)16-29-12-3-2-11-28-15-17-5-4-6-20(13-17)25-23-24-10-9-21(18)26-23;1-2-4-8-18-9-6-11-20(16-18)25-23-24-14-13-22(26-23)19-10-7-12-21(17-19)27-15-5-3-1;1-2-4-14-26-20-11-6-9-18(16-20)21-12-13-23-22(25-21)24-19-10-5-8-17(15-19)7-3-1;1-2-12-26-19-8-4-6-17(14-19)20-9-10-22-21(24-20)23-18-7-3-5-16(13-18)15-25-11-1/h2-10,13-14H,11-12,15-16H2,1H3,(H,24,25,26);1,3,6-7,9-14,16-17H,2,4-5,8,15H2,(H,24,25,26);2,4-6,8-13,15-16H,1,3,7,14H2,(H,23,24,25);1-10,13-14H,11-12,15H2,(H,22,23,24)/b3-2-;3-1-;4-2-;2-1+.

What are the key properties of (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene?

(16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene has a molecular weight of 1435.74 g/mol, XLogP of 19.56, 1 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (16E)-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene;(16E)-22-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16E)-20-oxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene;(16Z)-19-oxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene is sourced from PubChem (CID 157267728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).