spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene]

C23H15NO — CID 147801692

IUPACspiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21Nc2cccc3cccc(c23)O1
InChIInChI=1S/C23H15NO/c1-3-11-18-16(9-1)17-10-2-4-12-19(17)23(18)24-20-13-5-7-15-8-6-14-21(25-23)22(15)20/h1-14,24H
InChIKeyHLQKNGFPTOCOFU-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.53
Rot. Bonds

About spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene]

spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene] (PubChem CID 147801692) has the molecular formula C23H15NO and a molecular weight of 321.38 g/mol. Its IUPAC name is spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene].

Molecular Properties

Compound Namespiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene]
PubChem CID147801692
Molecular FormulaC23H15NO
Molecular Weight321.38 g/mol
Exact Mass321.12
IUPAC Namespiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21Nc2cccc3cccc(c23)O1
InChIInChI=1S/C23H15NO/c1-3-11-18-16(9-1)17-10-2-4-12-19(17)23(18)24-20-13-5-7-15-8-6-14-21(25-23)22(15)20/h1-14,24H
InChIKeyHLQKNGFPTOCOFU-UHFFFAOYSA-N
XLogP5.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
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Frequently Asked Questions

What is the IUPAC name of spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene]?
The IUPAC name of spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene] (CID 147801692) is spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene].
What is the SMILES notation for spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene]?
The canonical SMILES for spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21Nc2cccc3cccc(c23)O1.
What is the InChIKey of spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene]?
The InChIKey is HLQKNGFPTOCOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO/c1-3-11-18-16(9-1)17-10-2-4-12-19(17)23(18)24-20-13-5-7-15-8-6-14-21(25-23)22(15)20/h1-14,24H.
What are the key properties of spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene]?
spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene] has a molecular weight of 321.38 g/mol, XLogP of 5.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,9'-fluorene] is sourced from PubChem (CID 147801692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).