N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline

C24H23N — CID 142541124

IUPACN-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline
SMILESC=C/C=C(C=C)/C(C=C)=C(/C=C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N/c1-5-12-19(6-2)23(7-3)24(8-4)25-22-17-15-21(16-18-22)20-13-10-9-11-14-20/h5-18,25H,1-4H2/b19-12+,24-23-
InChIKeyUZSSBAAWWGWRGM-CDYFAGBUSA-N
MW325.46 g/mol
LogP6.69
Rot. Bonds8

About N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline

N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline (PubChem CID 142541124) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline.

Molecular Properties

Compound NameN-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline
PubChem CID142541124
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC NameN-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline
SMILESC=C/C=C(C=C)/C(C=C)=C(/C=C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N/c1-5-12-19(6-2)23(7-3)24(8-4)25-22-17-15-21(16-18-22)20-13-10-9-11-14-20/h5-18,25H,1-4H2/b19-12+,24-23-
InChIKeyUZSSBAAWWGWRGM-CDYFAGBUSA-N
XLogP6.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.69
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 N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline?
The IUPAC name of N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline (CID 142541124) is N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline.
What is the SMILES notation for N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline?
The canonical SMILES for N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline is C=C/C=C(C=C)/C(C=C)=C(/C=C)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline?
The InChIKey is UZSSBAAWWGWRGM-CDYFAGBUSA-N. The full InChI is InChI=1S/C24H23N/c1-5-12-19(6-2)23(7-3)24(8-4)25-22-17-15-21(16-18-22)20-13-10-9-11-14-20/h5-18,25H,1-4H2/b19-12+,24-23-.
What are the key properties of N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline?
N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline has a molecular weight of 325.46 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline is sourced from PubChem (CID 142541124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).