7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene

C26H15NO — CID 139436322

IUPAC7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene
SMILESc1ccc2c(c1)ccc1c3cc4ccoc4cc3n3c4ccccc4cc3c21
InChIInChI=1S/C26H15NO/c1-3-7-19-16(5-1)9-10-20-21-13-18-11-12-28-25(18)15-23(21)27-22-8-4-2-6-17(22)14-24(27)26(19)20/h1-15H
InChIKeyFLLGKVAHUQFEOZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP7.30
Rot. Bonds

About 7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene

7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene (PubChem CID 139436322) has the molecular formula C26H15NO and a molecular weight of 357.41 g/mol. Its IUPAC name is 7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene.

Molecular Properties

Compound Name7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene
PubChem CID139436322
Molecular FormulaC26H15NO
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC Name7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene
SMILESc1ccc2c(c1)ccc1c3cc4ccoc4cc3n3c4ccccc4cc3c21
InChIInChI=1S/C26H15NO/c1-3-7-19-16(5-1)9-10-20-21-13-18-11-12-28-25(18)15-23(21)27-22-8-4-2-6-17(22)14-24(27)26(19)20/h1-15H
InChIKeyFLLGKVAHUQFEOZ-UHFFFAOYSA-N
XLogP7.30
TPSA17.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene?
The IUPAC name of 7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene (CID 139436322) is 7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene.
What is the SMILES notation for 7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene?
The canonical SMILES for 7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene is c1ccc2c(c1)ccc1c3cc4ccoc4cc3n3c4ccccc4cc3c21.
What is the InChIKey of 7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene?
The InChIKey is FLLGKVAHUQFEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15NO/c1-3-7-19-16(5-1)9-10-20-21-13-18-11-12-28-25(18)15-23(21)27-22-8-4-2-6-17(22)14-24(27)26(19)20/h1-15H.
What are the key properties of 7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene?
7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene has a molecular weight of 357.41 g/mol, XLogP of 7.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene is sourced from PubChem (CID 139436322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).