9-ethenylanthracene

C16H12 — CID 17125

IUPAC9-ethenylanthracene
SMILESC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2
InChIKeyOGOYZCQQQFAGRI-UHFFFAOYSA-N
MW204.27 g/mol
LogP4.64
Rot. Bonds1

About 9-ethenylanthracene

9-ethenylanthracene (PubChem CID 17125) has the molecular formula C16H12 and a molecular weight of 204.27 g/mol. Its IUPAC name is 9-ethenylanthracene.

Molecular Properties

Compound Name9-ethenylanthracene
PubChem CID17125
Molecular FormulaC16H12
Molecular Weight204.27 g/mol
Exact Mass204.09
IUPAC Name9-ethenylanthracene
SMILESC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2
InChIKeyOGOYZCQQQFAGRI-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-ethenylanthracene?
The IUPAC name of 9-ethenylanthracene (CID 17125) is 9-ethenylanthracene.
What is the SMILES notation for 9-ethenylanthracene?
The canonical SMILES for 9-ethenylanthracene is C=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-ethenylanthracene?
The InChIKey is OGOYZCQQQFAGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2.
What are the key properties of 9-ethenylanthracene?
9-ethenylanthracene has a molecular weight of 204.27 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenylanthracene is sourced from PubChem (CID 17125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).