1-ethenylidenefluorene;1H-phenalene

C28H20 — CID 174659781

IUPAC1-ethenylidenefluorene;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.C=C=c1cccc2c1=Cc1ccccc1-2
InChIInChI=1S/C15H10.C13H10/c1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h3-10H,1H2;1-8H,9H2
InChIKeyAVVUERNXJAKMLE-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.47
Rot. Bonds

About 1-ethenylidenefluorene;1H-phenalene

1-ethenylidenefluorene;1H-phenalene (PubChem CID 174659781) has the molecular formula C28H20 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-ethenylidenefluorene;1H-phenalene.

Molecular Properties

Compound Name1-ethenylidenefluorene;1H-phenalene
PubChem CID174659781
Molecular FormulaC28H20
Molecular Weight356.47 g/mol
Exact Mass356.16
IUPAC Name1-ethenylidenefluorene;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.C=C=c1cccc2c1=Cc1ccccc1-2
InChIInChI=1S/C15H10.C13H10/c1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h3-10H,1H2;1-8H,9H2
InChIKeyAVVUERNXJAKMLE-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylidenefluorene;1H-phenalene?
The IUPAC name of 1-ethenylidenefluorene;1H-phenalene (CID 174659781) is 1-ethenylidenefluorene;1H-phenalene.
What is the SMILES notation for 1-ethenylidenefluorene;1H-phenalene?
The canonical SMILES for 1-ethenylidenefluorene;1H-phenalene is C1=Cc2cccc3cccc(c23)C1.C=C=c1cccc2c1=Cc1ccccc1-2.
What is the InChIKey of 1-ethenylidenefluorene;1H-phenalene?
The InChIKey is AVVUERNXJAKMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10.C13H10/c1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h3-10H,1H2;1-8H,9H2.
What are the key properties of 1-ethenylidenefluorene;1H-phenalene?
1-ethenylidenefluorene;1H-phenalene has a molecular weight of 356.47 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylidenefluorene;1H-phenalene is sourced from PubChem (CID 174659781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).