9-benzylidenexanthene

C20H14O — CID 623062

IUPAC9-benzylidenexanthene
SMILESC(=C1c2ccccc2Oc2ccccc21)c1ccccc1
InChIInChI=1S/C20H14O/c1-2-8-15(9-3-1)14-18-16-10-4-6-12-19(16)21-20-13-7-5-11-17(18)20/h1-14H
InChIKeyGGXXRTLDWMBVQG-UHFFFAOYSA-N
MW270.33 g/mol
LogP5.38
Rot. Bonds1

About 9-benzylidenexanthene

9-benzylidenexanthene (PubChem CID 623062) has the molecular formula C20H14O and a molecular weight of 270.33 g/mol. Its IUPAC name is 9-benzylidenexanthene.

Molecular Properties

Compound Name9-benzylidenexanthene
PubChem CID623062
Molecular FormulaC20H14O
Molecular Weight270.33 g/mol
Exact Mass270.10
IUPAC Name9-benzylidenexanthene
SMILESC(=C1c2ccccc2Oc2ccccc21)c1ccccc1
InChIInChI=1S/C20H14O/c1-2-8-15(9-3-1)14-18-16-10-4-6-12-19(16)21-20-13-7-5-11-17(18)20/h1-14H
InChIKeyGGXXRTLDWMBVQG-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.33
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-benzylidenexanthene?
The IUPAC name of 9-benzylidenexanthene (CID 623062) is 9-benzylidenexanthene.
What is the SMILES notation for 9-benzylidenexanthene?
The canonical SMILES for 9-benzylidenexanthene is C(=C1c2ccccc2Oc2ccccc21)c1ccccc1.
What is the InChIKey of 9-benzylidenexanthene?
The InChIKey is GGXXRTLDWMBVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O/c1-2-8-15(9-3-1)14-18-16-10-4-6-12-19(16)21-20-13-7-5-11-17(18)20/h1-14H.
What are the key properties of 9-benzylidenexanthene?
9-benzylidenexanthene has a molecular weight of 270.33 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzylidenexanthene is sourced from PubChem (CID 623062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).