(2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine

C23H22FN — CID 134315571

IUPAC(2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine
SMILESC=C/C(=C(/C)N/C=C/C(=C)c1ccccc1)c1ccc(/C=C\F)cc1
InChIInChI=1S/C23H22FN/c1-4-23(22-12-10-20(11-13-22)14-16-24)19(3)25-17-15-18(2)21-8-6-5-7-9-21/h4-17,25H,1-2H2,3H3/b16-14-,17-15+,23-19+
InChIKeyZVRRPNPJOVXSPW-QOQCOLBOSA-N
MW331.43 g/mol
LogP6.36
Rot. Bonds7

About (2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine

(2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine (PubChem CID 134315571) has the molecular formula C23H22FN and a molecular weight of 331.43 g/mol. Its IUPAC name is (2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine
PubChem CID134315571
Molecular FormulaC23H22FN
Molecular Weight331.43 g/mol
Exact Mass331.17
IUPAC Name(2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine
SMILESC=C/C(=C(/C)N/C=C/C(=C)c1ccccc1)c1ccc(/C=C\F)cc1
InChIInChI=1S/C23H22FN/c1-4-23(22-12-10-20(11-13-22)14-16-24)19(3)25-17-15-18(2)21-8-6-5-7-9-21/h4-17,25H,1-2H2,3H3/b16-14-,17-15+,23-19+
InChIKeyZVRRPNPJOVXSPW-QOQCOLBOSA-N
XLogP6.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.43
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine?
The IUPAC name of (2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine (CID 134315571) is (2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine?
The canonical SMILES for (2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine is C=C/C(=C(/C)N/C=C/C(=C)c1ccccc1)c1ccc(/C=C\F)cc1.
What is the InChIKey of (2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine?
The InChIKey is ZVRRPNPJOVXSPW-QOQCOLBOSA-N. The full InChI is InChI=1S/C23H22FN/c1-4-23(22-12-10-20(11-13-22)14-16-24)19(3)25-17-15-18(2)21-8-6-5-7-9-21/h4-17,25H,1-2H2,3H3/b16-14-,17-15+,23-19+.
What are the key properties of (2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine?
(2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine has a molecular weight of 331.43 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-[4-[(Z)-2-fluoroethenyl]phenyl]-N-[(1E)-3-phenylbuta-1,3-dienyl]penta-2,4-dien-2-amine is sourced from PubChem (CID 134315571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).