(1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine

C26H26ClN — CID 142125427

IUPAC(1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine
SMILESCCCc1ccccc1C/C=C(\C=C(/N)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C26H26ClN/c1-2-10-20-13-6-7-14-22(20)17-18-23(21-11-4-3-5-12-21)19-26(28)24-15-8-9-16-25(24)27/h3-9,11-16,18-19H,2,10,17,28H2,1H3/b23-18+,26-19-
InChIKeyDWRXFSDYDAHWCP-TXVVHMECSA-N
MW387.95 g/mol
LogP6.92
Rot. Bonds7

About (1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine

(1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine (PubChem CID 142125427) has the molecular formula C26H26ClN and a molecular weight of 387.95 g/mol. Its IUPAC name is (1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine
PubChem CID142125427
Molecular FormulaC26H26ClN
Molecular Weight387.95 g/mol
Exact Mass387.18
IUPAC Name(1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine
SMILESCCCc1ccccc1C/C=C(\C=C(/N)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C26H26ClN/c1-2-10-20-13-6-7-14-22(20)17-18-23(21-11-4-3-5-12-21)19-26(28)24-15-8-9-16-25(24)27/h3-9,11-16,18-19H,2,10,17,28H2,1H3/b23-18+,26-19-
InChIKeyDWRXFSDYDAHWCP-TXVVHMECSA-N
XLogP6.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.95
LogP ≤ 56.92
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 (1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine (CID 142125427) is (1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine is CCCc1ccccc1C/C=C(\C=C(/N)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine?
The InChIKey is DWRXFSDYDAHWCP-TXVVHMECSA-N. The full InChI is InChI=1S/C26H26ClN/c1-2-10-20-13-6-7-14-22(20)17-18-23(21-11-4-3-5-12-21)19-26(28)24-15-8-9-16-25(24)27/h3-9,11-16,18-19H,2,10,17,28H2,1H3/b23-18+,26-19-.
What are the key properties of (1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine?
(1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine has a molecular weight of 387.95 g/mol, XLogP of 6.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-(2-chlorophenyl)-3-phenyl-5-(2-propylphenyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 142125427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).