4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene

C30H33F — CID 135158188

IUPAC4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene
SMILESC/C=C(/c1ccccc1)c1cccc2c1CC1=C(C(F)=CCC1CC=CCC)C2(C)C
InChIInChI=1S/C30H33F/c1-5-7-9-13-22-18-19-28(31)29-25(22)20-26-24(16-12-17-27(26)30(29,3)4)23(6-2)21-14-10-8-11-15-21/h6-12,14-17,19,22H,5,13,18,20H2,1-4H3/b9-7?,23-6-
InChIKeyWVJOKNAWGPYROV-RJMZLKCZSA-N
MW412.59 g/mol
LogP8.50
Rot. Bonds5

About 4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene

4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene (PubChem CID 135158188) has the molecular formula C30H33F and a molecular weight of 412.59 g/mol. Its IUPAC name is 4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene.

Molecular Properties

Compound Name4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene
PubChem CID135158188
Molecular FormulaC30H33F
Molecular Weight412.59 g/mol
Exact Mass412.26
IUPAC Name4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene
SMILESC/C=C(/c1ccccc1)c1cccc2c1CC1=C(C(F)=CCC1CC=CCC)C2(C)C
InChIInChI=1S/C30H33F/c1-5-7-9-13-22-18-19-28(31)29-25(22)20-26-24(16-12-17-27(26)30(29,3)4)23(6-2)21-14-10-8-11-15-21/h6-12,14-17,19,22H,5,13,18,20H2,1-4H3/b9-7?,23-6-
InChIKeyWVJOKNAWGPYROV-RJMZLKCZSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.59
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene?
The IUPAC name of 4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene (CID 135158188) is 4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene.
What is the SMILES notation for 4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene?
The canonical SMILES for 4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene is C/C=C(/c1ccccc1)c1cccc2c1CC1=C(C(F)=CCC1CC=CCC)C2(C)C.
What is the InChIKey of 4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene?
The InChIKey is WVJOKNAWGPYROV-RJMZLKCZSA-N. The full InChI is InChI=1S/C30H33F/c1-5-7-9-13-22-18-19-28(31)29-25(22)20-26-24(16-12-17-27(26)30(29,3)4)23(6-2)21-14-10-8-11-15-21/h6-12,14-17,19,22H,5,13,18,20H2,1-4H3/b9-7?,23-6-.
What are the key properties of 4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene?
4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene has a molecular weight of 412.59 g/mol, XLogP of 8.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene is sourced from PubChem (CID 135158188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).