ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline

C25H25N — CID 145067455

IUPACethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline
SMILESC=C.C=C/C(=C\C)c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21N.C2H4/c1-3-18(4-2)20-10-14-22(15-11-20)24-23-16-12-21(13-17-23)19-8-6-5-7-9-19;1-2/h3-17,24H,1H2,2H3;1-2H2/b18-4+;
InChIKeyWRQHYWWKPNKHAP-BLSWVXOOSA-N
MW339.48 g/mol
LogP7.49
Rot. Bonds5

About ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline

ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline (PubChem CID 145067455) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline.

Molecular Properties

Compound Nameethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline
PubChem CID145067455
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Nameethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline
SMILESC=C.C=C/C(=C\C)c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21N.C2H4/c1-3-18(4-2)20-10-14-22(15-11-20)24-23-16-12-21(13-17-23)19-8-6-5-7-9-19;1-2/h3-17,24H,1H2,2H3;1-2H2/b18-4+;
InChIKeyWRQHYWWKPNKHAP-BLSWVXOOSA-N
XLogP7.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline?
The IUPAC name of ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline (CID 145067455) is ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline.
What is the SMILES notation for ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline?
The canonical SMILES for ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline is C=C.C=C/C(=C\C)c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline?
The InChIKey is WRQHYWWKPNKHAP-BLSWVXOOSA-N. The full InChI is InChI=1S/C23H21N.C2H4/c1-3-18(4-2)20-10-14-22(15-11-20)24-23-16-12-21(13-17-23)19-8-6-5-7-9-19;1-2/h3-17,24H,1H2,2H3;1-2H2/b18-4+;.
What are the key properties of ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline?
ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline has a molecular weight of 339.48 g/mol, XLogP of 7.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline is sourced from PubChem (CID 145067455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).