4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline

C24H25N — CID 134257110

IUPAC4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline
SMILESC=C/C=C\C=C\c1ccc(Nc2ccc(C/C=C\C=C/C)cc2)cc1
InChIInChI=1S/C24H25N/c1-3-5-7-9-11-21-13-17-23(18-14-21)25-24-19-15-22(16-20-24)12-10-8-6-4-2/h3-11,13-20,25H,1,12H2,2H3/b6-4-,7-5-,10-8-,11-9+
InChIKeyRKSQGKZDHHGMSB-OVIRUMTGSA-N
MW327.47 g/mol
LogP6.86
Rot. Bonds8

About 4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline

4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline (PubChem CID 134257110) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline.

Molecular Properties

Compound Name4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline
PubChem CID134257110
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC Name4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline
SMILESC=C/C=C\C=C\c1ccc(Nc2ccc(C/C=C\C=C/C)cc2)cc1
InChIInChI=1S/C24H25N/c1-3-5-7-9-11-21-13-17-23(18-14-21)25-24-19-15-22(16-20-24)12-10-8-6-4-2/h3-11,13-20,25H,1,12H2,2H3/b6-4-,7-5-,10-8-,11-9+
InChIKeyRKSQGKZDHHGMSB-OVIRUMTGSA-N
XLogP6.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 56.86
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 4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline?
The IUPAC name of 4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline (CID 134257110) is 4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline.
What is the SMILES notation for 4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline?
The canonical SMILES for 4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline is C=C/C=C\C=C\c1ccc(Nc2ccc(C/C=C\C=C/C)cc2)cc1.
What is the InChIKey of 4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline?
The InChIKey is RKSQGKZDHHGMSB-OVIRUMTGSA-N. The full InChI is InChI=1S/C24H25N/c1-3-5-7-9-11-21-13-17-23(18-14-21)25-24-19-15-22(16-20-24)12-10-8-6-4-2/h3-11,13-20,25H,1,12H2,2H3/b6-4-,7-5-,10-8-,11-9+.
What are the key properties of 4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline?
4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline has a molecular weight of 327.47 g/mol, XLogP of 6.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(1E,3Z)-hexa-1,3,5-trienyl]phenyl]aniline is sourced from PubChem (CID 134257110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).