23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione

C143H137N13O17S — CID 157253860

About 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione

23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione (PubChem CID 157253860) has the molecular formula C143H137N13O17S and a molecular weight of 2341.81 g/mol. Its IUPAC name is 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione.

Molecular Properties

• Compound Name: 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione
• PubChem CID: 157253860
• Molecular Formula: C143H137N13O17S
• Molecular Weight: 2341.81 g/mol
• Exact Mass: 2340.00
• IUPAC Name: 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione
• SMILES: O=C1CC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCN(Cc1cccc3ccccc13)CCn1cc2c2ccccc21.O=C1CC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCN(Cc1ccco1)CCn1cc2c2ccccc21.O=C1CC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCN(Cc1cccs1)CCn1cc2c2ccccc21.O=C1CC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCN(Cc1ccncc1)CCn1cc2c2ccccc21
• InChI: InChI=1S/C40H37N3O4.C35H34N4O4.C34H33N3O5.C34H33N3O4S/c44-37-24-38(45)40-34-27-43(36-15-6-4-13-32(34)36)19-21-47-23-22-46-20-18-41(25-29-10-7-9-28-8-1-2-11-30(28)29)16-17-42-26-33(39(37)40)31-12-3-5-14-35(31)42;40-32-21-33(41)35-29-24-39(31-8-4-2-6-27(29)31)16-18-43-20-19-42-17-15-37(22-25-9-11-36-12-10-25)13-14-38-23-28(34(32)35)26-5-1-3-7-30(26)38;38-31-20-32(39)34-28-23-37(30-10-4-2-8-26(28)30)14-17-41-19-18-40-16-13-35(21-24-6-5-15-42-24)11-12-36-22-27(33(31)34)25-7-1-3-9-29(25)36;38-31-20-32(39)34-28-23-37(30-10-4-2-8-26(28)30)14-16-41-18-17-40-15-13-35(21-24-6-5-19-42-24)11-12-36-22-27(33(31)34)25-7-1-3-9-29(25)36/h1-15,26-27H,16-25H2;1-12,23-24H,13-22H2;1-10,15,22-23H,11-14,16-21H2;1-10,19,22-23H,11-18,20-21H2
• InChIKey: AWQOZDGIXBLPMP-UHFFFAOYSA-N
• XLogP: 22.59
• TPSA: 288.83 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 8
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2341.81
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione?

The IUPAC name of 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione (CID 157253860) is 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione.

What is the SMILES notation for 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione?

The canonical SMILES for 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione is O=C1CC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCN(Cc1cccc3ccccc13)CCn1cc2c2ccccc21.O=C1CC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCN(Cc1ccco1)CCn1cc2c2ccccc21.O=C1CC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCN(Cc1cccs1)CCn1cc2c2ccccc21.O=C1CC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCN(Cc1ccncc1)CCn1cc2c2ccccc21.

What is the InChIKey of 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione?

The InChIKey is AWQOZDGIXBLPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N3O4.C35H34N4O4.C34H33N3O5.C34H33N3O4S/c44-37-24-38(45)40-34-27-43(36-15-6-4-13-32(34)36)19-21-47-23-22-46-20-18-41(25-29-10-7-9-28-8-1-2-11-30(28)29)16-17-42-26-33(39(37)40)31-12-3-5-14-35(31)42;40-32-21-33(41)35-29-24-39(31-8-4-2-6-27(29)31)16-18-43-20-19-42-17-15-37(22-25-9-11-36-12-10-25)13-14-38-23-28(34(32)35)26-5-1-3-7-30(26)38;38-31-20-32(39)34-28-23-37(30-10-4-2-8-26(28)30)14-17-41-19-18-40-16-13-35(21-24-6-5-15-42-24)11-12-36-22-27(33(31)34)25-7-1-3-9-29(25)36;38-31-20-32(39)34-28-23-37(30-10-4-2-8-26(28)30)14-16-41-18-17-40-15-13-35(21-24-6-5-19-42-24)11-12-36-22-27(33(31)34)25-7-1-3-9-29(25)36/h1-15,26-27H,16-25H2;1-12,23-24H,13-22H2;1-10,15,22-23H,11-14,16-21H2;1-10,19,22-23H,11-18,20-21H2.

What are the key properties of 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione?

23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione has a molecular weight of 2341.81 g/mol, XLogP of 22.59, 8 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 23-(furan-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(naphthalen-1-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(pyridin-4-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-14,23,26-triazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione is sourced from PubChem (CID 157253860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).