1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene

C26H23F — CID 135208021

IUPAC1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene
SMILESC=C1c2cccc(F)c2C(C)(C)c2cccc(/C(=C\C)c3ccccc3)c21
InChIInChI=1S/C26H23F/c1-5-19(18-11-7-6-8-12-18)21-14-9-15-22-24(21)17(2)20-13-10-16-23(27)25(20)26(22,3)4/h5-16H,2H2,1,3-4H3/b19-5-
InChIKeySSVTUXOSUMISQG-IPKBDRFQSA-N
MW354.47 g/mol
LogP6.98
Rot. Bonds2

About 1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene

1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene (PubChem CID 135208021) has the molecular formula C26H23F and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene.

Molecular Properties

Compound Name1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene
PubChem CID135208021
Molecular FormulaC26H23F
Molecular Weight354.47 g/mol
Exact Mass354.18
IUPAC Name1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene
SMILESC=C1c2cccc(F)c2C(C)(C)c2cccc(/C(=C\C)c3ccccc3)c21
InChIInChI=1S/C26H23F/c1-5-19(18-11-7-6-8-12-18)21-14-9-15-22-24(21)17(2)20-13-10-16-23(27)25(20)26(22,3)4/h5-16H,2H2,1,3-4H3/b19-5-
InChIKeySSVTUXOSUMISQG-IPKBDRFQSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.47
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene?
The IUPAC name of 1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene (CID 135208021) is 1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene.
What is the SMILES notation for 1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene?
The canonical SMILES for 1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene is C=C1c2cccc(F)c2C(C)(C)c2cccc(/C(=C\C)c3ccccc3)c21.
What is the InChIKey of 1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene?
The InChIKey is SSVTUXOSUMISQG-IPKBDRFQSA-N. The full InChI is InChI=1S/C26H23F/c1-5-19(18-11-7-6-8-12-18)21-14-9-15-22-24(21)17(2)20-13-10-16-23(27)25(20)26(22,3)4/h5-16H,2H2,1,3-4H3/b19-5-.
What are the key properties of 1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene?
1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene has a molecular weight of 354.47 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene is sourced from PubChem (CID 135208021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).