5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene

C26H40N4O5 — CID 11283208

IUPAC5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene
SMILESc1ccc2c(c1)NCCOCCOCCNc1ccccc1NCCOCCOCCOCCN2
InChIInChI=1S/C26H40N4O5/c1-3-7-25-23(5-1)27-9-13-31-17-18-32-14-10-28-24-6-2-4-8-26(24)30-12-16-34-20-22-35-21-19-33-15-11-29-25/h1-8,27-30H,9-22H2
InChIKeyFORUZPCWLWEYIH-UHFFFAOYSA-N
MW488.63 g/mol
LogP3.13
Rot. Bonds

About 5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene

5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene (PubChem CID 11283208) has the molecular formula C26H40N4O5 and a molecular weight of 488.63 g/mol. Its IUPAC name is 5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene.

Molecular Properties

Compound Name5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene
PubChem CID11283208
Molecular FormulaC26H40N4O5
Molecular Weight488.63 g/mol
Exact Mass488.30
IUPAC Name5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene
SMILESc1ccc2c(c1)NCCOCCOCCNc1ccccc1NCCOCCOCCOCCN2
InChIInChI=1S/C26H40N4O5/c1-3-7-25-23(5-1)27-9-13-31-17-18-32-14-10-28-24-6-2-4-8-26(24)30-12-16-34-20-22-35-21-19-33-15-11-29-25/h1-8,27-30H,9-22H2
InChIKeyFORUZPCWLWEYIH-UHFFFAOYSA-N
XLogP3.13
TPSA94.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

Analyze 5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene with MolForge

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

Launch Full Analysis

Related Compounds

9,12,32,35-tetraoxa-6,15,29,38-tetrazaheptacyclo[41.3.1.120,24.05,46.016,21.023,28.039,44]octatetraconta-1(47),2,4,16,18,20(48),21,23,25,27,39,41,43,45-tetradecaene
CID 15514788
morpholine;1,2,3,4-tetrahydroquinoline
CID 67874658
molecular hydrogen;1,2,3,4-tetrahydroquinoxaline
CID 143824741
1,2,3,4,5,6-hexahydro-1,6-benzodiazocine
CID 2771763
2,5,8-trioxa-15,18,21-triazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 590763
11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 11338105
2,5,8,19,22-pentaoxa-16,25-diazatricyclo[25.4.0.09,14]hentriaconta-1(31),9,11,13,27,29-hexaene-15,26-dione
CID 100985413
2,5,8,11,22,25-hexaoxa-19,28-diazatricyclo[28.4.0.012,17]tetratriaconta-1(34),12,14,16,30,32-hexaene-18,29-dione
CID 10505622
9,12,15,18,21,24-hexaoxa-2-azatricyclo[23.4.0.03,8]nonacosa-1(29),3,5,7,25,27-hexaene
CID 15468632
1,9,12,15-tetraoxa-4,6-diazacycloheptadecane-5-thione
CID 3123181
2-oxa-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene
CID 12610237
8-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 135217965

Frequently Asked Questions

What is the IUPAC name of 5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene?
The IUPAC name of 5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene (CID 11283208) is 5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene.
What is the SMILES notation for 5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene?
The canonical SMILES for 5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene is c1ccc2c(c1)NCCOCCOCCNc1ccccc1NCCOCCOCCOCCN2.
What is the InChIKey of 5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene?
The InChIKey is FORUZPCWLWEYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O5/c1-3-7-25-23(5-1)27-9-13-31-17-18-32-14-10-28-24-6-2-4-8-26(24)30-12-16-34-20-22-35-21-19-33-15-11-29-25/h1-8,27-30H,9-22H2.
What are the key properties of 5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene?
5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene has a molecular weight of 488.63 g/mol, XLogP of 3.13, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,21,24,27-pentaoxa-2,11,18,30-tetrazatricyclo[29.4.0.012,17]pentatriaconta-1(35),12,14,16,31,33-hexaene is sourced from PubChem (CID 11283208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).