1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene

C27H23F — CID 146644007

IUPAC1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene
SMILESC=C/C=C(\C=C)C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C27H23F/c1-3-8-21(4-2)19-26(25-15-17-27(28)18-16-25)20-22-11-13-24(14-12-22)23-9-6-5-7-10-23/h3-18,20H,1-2,19H2/b21-8+,26-20-
InChIKeyAIVCEQXGTIMING-SSAFROFTSA-N
MW366.48 g/mol
LogP7.72
Rot. Bonds7

About 1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene

1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene (PubChem CID 146644007) has the molecular formula C27H23F and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene
PubChem CID146644007
Molecular FormulaC27H23F
Molecular Weight366.48 g/mol
Exact Mass366.18
IUPAC Name1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene
SMILESC=C/C=C(\C=C)C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C27H23F/c1-3-8-21(4-2)19-26(25-15-17-27(28)18-16-25)20-22-11-13-24(14-12-22)23-9-6-5-7-10-23/h3-18,20H,1-2,19H2/b21-8+,26-20-
InChIKeyAIVCEQXGTIMING-SSAFROFTSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene?
The IUPAC name of 1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene (CID 146644007) is 1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene.
What is the SMILES notation for 1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene?
The canonical SMILES for 1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene is C=C/C=C(\C=C)C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene?
The InChIKey is AIVCEQXGTIMING-SSAFROFTSA-N. The full InChI is InChI=1S/C27H23F/c1-3-8-21(4-2)19-26(25-15-17-27(28)18-16-25)20-22-11-13-24(14-12-22)23-9-6-5-7-10-23/h3-18,20H,1-2,19H2/b21-8+,26-20-.
What are the key properties of 1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene?
1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene has a molecular weight of 366.48 g/mol, XLogP of 7.72, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,4Z)-4-ethenyl-2-(4-fluorophenyl)hepta-1,4,6-trienyl]-4-phenylbenzene is sourced from PubChem (CID 146644007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).