(5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene

C28H20F4 — CID 163513572

IUPAC(5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene
SMILESC=CCC=c1ccc(=c2ccc(=c3cc/c(=C4\C=C(F)C(F)=C(F)C4)c(F)c3)cc2)cc1
InChIInChI=1S/C28H20F4/c1-2-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-14-24(25(29)15-22)23-16-26(30)28(32)27(31)17-23/h2,4-16H,1,3,17H2/b18-4-,20-19-,22-21-,24-23-
InChIKeyDEUBLRMTRVWWCD-FHCVFTFPSA-N
MW432.46 g/mol
LogP6.31
Rot. Bonds2

About (5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene

(5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene (PubChem CID 163513572) has the molecular formula C28H20F4 and a molecular weight of 432.46 g/mol. Its IUPAC name is (5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene
PubChem CID163513572
Molecular FormulaC28H20F4
Molecular Weight432.46 g/mol
Exact Mass432.15
IUPAC Name(5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene
SMILESC=CCC=c1ccc(=c2ccc(=c3cc/c(=C4\C=C(F)C(F)=C(F)C4)c(F)c3)cc2)cc1
InChIInChI=1S/C28H20F4/c1-2-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-14-24(25(29)15-22)23-16-26(30)28(32)27(31)17-23/h2,4-16H,1,3,17H2/b18-4-,20-19-,22-21-,24-23-
InChIKeyDEUBLRMTRVWWCD-FHCVFTFPSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene?
The IUPAC name of (5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene (CID 163513572) is (5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene.
What is the SMILES notation for (5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene?
The canonical SMILES for (5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene is C=CCC=c1ccc(=c2ccc(=c3cc/c(=C4\C=C(F)C(F)=C(F)C4)c(F)c3)cc2)cc1.
What is the InChIKey of (5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene?
The InChIKey is DEUBLRMTRVWWCD-FHCVFTFPSA-N. The full InChI is InChI=1S/C28H20F4/c1-2-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-14-24(25(29)15-22)23-16-26(30)28(32)27(31)17-23/h2,4-16H,1,3,17H2/b18-4-,20-19-,22-21-,24-23-.
What are the key properties of (5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene?
(5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene has a molecular weight of 432.46 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[4-[4-(4-but-3-enylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]-1,2,3-trifluorocyclohexa-1,3-diene is sourced from PubChem (CID 163513572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).