11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene

C26H37N5O3 — CID 174302230

IUPAC11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene
SMILESc1cc2c3oc4c(cccc4c3c1)NCCN1CCNCCN(CCN2)CCOCCOCC1
InChIInChI=1S/C26H37N5O3/c1-3-21-22-4-2-6-24-26(22)34-25(21)23(5-1)28-9-13-30-11-7-27-8-12-31(14-10-29-24)16-18-33-20-19-32-17-15-30/h1-6,27-29H,7-20H2
InChIKeyGPWGUUZZINTTJW-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.66
Rot. Bonds

About 11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene

11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene (PubChem CID 174302230) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene.

Molecular Properties

Compound Name11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene
PubChem CID174302230
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Name11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene
SMILESc1cc2c3oc4c(cccc4c3c1)NCCN1CCNCCN(CCN2)CCOCCOCC1
InChIInChI=1S/C26H37N5O3/c1-3-21-22-4-2-6-24-26(22)34-25(21)23(5-1)28-9-13-30-11-7-27-8-12-31(14-10-29-24)16-18-33-20-19-32-17-15-30/h1-6,27-29H,7-20H2
InChIKeyGPWGUUZZINTTJW-UHFFFAOYSA-N
XLogP2.66
TPSA74.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene 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 11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene?
The IUPAC name of 11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene (CID 174302230) is 11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene.
What is the SMILES notation for 11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene?
The canonical SMILES for 11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene is c1cc2c3oc4c(cccc4c3c1)NCCN1CCNCCN(CCN2)CCOCCOCC1.
What is the InChIKey of 11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene?
The InChIKey is GPWGUUZZINTTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-3-21-22-4-2-6-24-26(22)34-25(21)23(5-1)28-9-13-30-11-7-27-8-12-31(14-10-29-24)16-18-33-20-19-32-17-15-30/h1-6,27-29H,7-20H2.
What are the key properties of 11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene?
11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene has a molecular weight of 467.61 g/mol, XLogP of 2.66, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11,24,27-trioxa-1,4,18,21,32-pentazapentacyclo[19.8.5.05,10.09,13.012,17]tetratriaconta-5,7,9,12,14,16-hexaene is sourced from PubChem (CID 174302230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).