2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline

C24H23N — CID 170567881

IUPAC2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline
SMILESC=C/C=C(\C=C)c1ccc(Nc2ccccc2)c(/C(C=C)=C/C=C)c1
InChIInChI=1S/C24H23N/c1-5-12-19(7-3)21-16-17-24(25-22-14-10-9-11-15-22)23(18-21)20(8-4)13-6-2/h5-18,25H,1-4H2/b19-12+,20-13+
InChIKeyTVPRRHYNKJTBDY-KVOOEGMKSA-N
MW325.46 g/mol
LogP6.94
Rot. Bonds8

About 2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline

2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline (PubChem CID 170567881) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is 2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline.

Molecular Properties

Compound Name2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline
PubChem CID170567881
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline
SMILESC=C/C=C(\C=C)c1ccc(Nc2ccccc2)c(/C(C=C)=C/C=C)c1
InChIInChI=1S/C24H23N/c1-5-12-19(7-3)21-16-17-24(25-22-14-10-9-11-15-22)23(18-21)20(8-4)13-6-2/h5-18,25H,1-4H2/b19-12+,20-13+
InChIKeyTVPRRHYNKJTBDY-KVOOEGMKSA-N
XLogP6.94
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 ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 88567954
N-[4-(4-hexa-1,3,5-trien-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 123956268
N-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylaniline
CID 145280393
4-(3,5-diphenylphenyl)-N-[4-[3-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylphenyl]phenyl]aniline
CID 145003943
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]dibenzothiophen-3-amine
CID 144963579
3-[(3E)-hexa-1,3,5-trien-3-yl]benzoic acid
CID 118859642
4-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylpyrimidin-2-amine
CID 174359338
1-bromo-2-[(3E)-hexa-1,3,5-trien-3-yl]benzene;ethane
CID 145141149
2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol
CID 142206272
3,4-dianilinobenzenecarboximidamide
CID 142296312
1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene
CID 156839306
10-[(3E)-hexa-1,3,5-trien-3-yl]phenanthro[9,10-b]pyrazine
CID 143847567

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline?
The IUPAC name of 2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline (CID 170567881) is 2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline.
What is the SMILES notation for 2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline?
The canonical SMILES for 2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline is C=C/C=C(\C=C)c1ccc(Nc2ccccc2)c(/C(C=C)=C/C=C)c1.
What is the InChIKey of 2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline?
The InChIKey is TVPRRHYNKJTBDY-KVOOEGMKSA-N. The full InChI is InChI=1S/C24H23N/c1-5-12-19(7-3)21-16-17-24(25-22-14-10-9-11-15-22)23(18-21)20(8-4)13-6-2/h5-18,25H,1-4H2/b19-12+,20-13+.
What are the key properties of 2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline?
2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline has a molecular weight of 325.46 g/mol, XLogP of 6.94, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylaniline is sourced from PubChem (CID 170567881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).