17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione

C26H25N5O5 — CID 10141037

IUPAC17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione
SMILESO=C1NC(=O)C2=C1c1cn(c3ncccc13)CCOCCOCCOCCn1cc2c2cccnc21
InChIInChI=1S/C26H25N5O5/c32-25-21-19-15-30(23-17(19)3-1-5-27-23)7-9-34-11-13-36-14-12-35-10-8-31-16-20(22(21)26(33)29-25)18-4-2-6-28-24(18)31/h1-6,15-16H,7-14H2,(H,29,32,33)
InChIKeyPOFRSIZMPZFXPB-UHFFFAOYSA-N
MW487.52 g/mol
LogP2.02
Rot. Bonds

About 17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione

17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione (PubChem CID 10141037) has the molecular formula C26H25N5O5 and a molecular weight of 487.52 g/mol. Its IUPAC name is 17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione.

Molecular Properties

Compound Name17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione
PubChem CID10141037
Molecular FormulaC26H25N5O5
Molecular Weight487.52 g/mol
Exact Mass487.19
IUPAC Name17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione
SMILESO=C1NC(=O)C2=C1c1cn(c3ncccc13)CCOCCOCCOCCn1cc2c2cccnc21
InChIInChI=1S/C26H25N5O5/c32-25-21-19-15-30(23-17(19)3-1-5-27-23)7-9-34-11-13-36-14-12-35-10-8-31-16-20(22(21)26(33)29-25)18-4-2-6-28-24(18)31/h1-6,15-16H,7-14H2,(H,29,32,33)
InChIKeyPOFRSIZMPZFXPB-UHFFFAOYSA-N
XLogP2.02
TPSA109.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione?
The IUPAC name of 17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione (CID 10141037) is 17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione.
What is the SMILES notation for 17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione?
The canonical SMILES for 17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione is O=C1NC(=O)C2=C1c1cn(c3ncccc13)CCOCCOCCOCCn1cc2c2cccnc21.
What is the InChIKey of 17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione?
The InChIKey is POFRSIZMPZFXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5/c32-25-21-19-15-30(23-17(19)3-1-5-27-23)7-9-34-11-13-36-14-12-35-10-8-31-16-20(22(21)26(33)29-25)18-4-2-6-28-24(18)31/h1-6,15-16H,7-14H2,(H,29,32,33).
What are the key properties of 17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione?
17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione has a molecular weight of 487.52 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 17,20,23-trioxa-4,12,14,26,28-pentazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione is sourced from PubChem (CID 10141037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).