5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one

C30H16O2 — CID 20720294

IUPAC5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one
SMILESO=C1c2cccc3c2-c2c1cccc2C31c2ccccc2-c2c1cc(O)c1ccccc21
InChIInChI=1S/C30H16O2/c31-25-15-24-26(17-8-2-1-7-16(17)25)18-9-3-4-12-21(18)30(24)22-13-5-10-19-27(22)28-20(29(19)32)11-6-14-23(28)30/h1-15,31H
InChIKeySBDKKCVIHHWUAA-UHFFFAOYSA-N
MW408.46 g/mol
LogP6.43
Rot. Bonds

About 5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one

5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one (PubChem CID 20720294) has the molecular formula C30H16O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one.

Molecular Properties

Compound Name5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one
PubChem CID20720294
Molecular FormulaC30H16O2
Molecular Weight408.46 g/mol
Exact Mass408.12
IUPAC Name5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one
SMILESO=C1c2cccc3c2-c2c1cccc2C31c2ccccc2-c2c1cc(O)c1ccccc21
InChIInChI=1S/C30H16O2/c31-25-15-24-26(17-8-2-1-7-16(17)25)18-9-3-4-12-21(18)30(24)22-13-5-10-19-27(22)28-20(29(19)32)11-6-14-23(28)30/h1-15,31H
InChIKeySBDKKCVIHHWUAA-UHFFFAOYSA-N
XLogP6.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one?
The IUPAC name of 5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one (CID 20720294) is 5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one.
What is the SMILES notation for 5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one?
The canonical SMILES for 5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one is O=C1c2cccc3c2-c2c1cccc2C31c2ccccc2-c2c1cc(O)c1ccccc21.
What is the InChIKey of 5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one?
The InChIKey is SBDKKCVIHHWUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16O2/c31-25-15-24-26(17-8-2-1-7-16(17)25)18-9-3-4-12-21(18)30(24)22-13-5-10-19-27(22)28-20(29(19)32)11-6-14-23(28)30/h1-15,31H.
What are the key properties of 5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one?
5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one has a molecular weight of 408.46 g/mol, XLogP of 6.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyspiro[benzo[c]fluorene-7,14'-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene]-6'-one is sourced from PubChem (CID 20720294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).