17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione

C26H23N3O4 — CID 10275064

IUPAC17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione
SMILESO=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCn1cc2c2ccccc21
InChIInChI=1S/C26H23N3O4/c30-25-23-19-15-28(21-7-3-1-5-17(19)21)9-11-32-13-14-33-12-10-29-16-20(24(23)26(31)27-25)18-6-2-4-8-22(18)29/h1-8,15-16H,9-14H2,(H,27,30,31)
InChIKeyBIGPNLBOTAHTOI-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.21
Rot. Bonds

About 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione

17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione (PubChem CID 10275064) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione.

Molecular Properties

Compound Name17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione
PubChem CID10275064
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione
SMILESO=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCn1cc2c2ccccc21
InChIInChI=1S/C26H23N3O4/c30-25-23-19-15-28(21-7-3-1-5-17(19)21)9-11-32-13-14-33-12-10-29-16-20(24(23)26(31)27-25)18-6-2-4-8-22(18)29/h1-8,15-16H,9-14H2,(H,27,30,31)
InChIKeyBIGPNLBOTAHTOI-UHFFFAOYSA-N
XLogP3.21
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione?
The IUPAC name of 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione (CID 10275064) is 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione.
What is the SMILES notation for 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione?
The canonical SMILES for 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione is O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCn1cc2c2ccccc21.
What is the InChIKey of 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione?
The InChIKey is BIGPNLBOTAHTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c30-25-23-19-15-28(21-7-3-1-5-17(19)21)9-11-32-13-14-33-12-10-29-16-20(24(23)26(31)27-25)18-6-2-4-8-22(18)29/h1-8,15-16H,9-14H2,(H,27,30,31).
What are the key properties of 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione?
17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione has a molecular weight of 441.49 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione is sourced from PubChem (CID 10275064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).