(E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine

C26H28N2 — CID 146321202

IUPAC(E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine
SMILESC=CC(/N=C(C)/C=C/c1ccccc1)C(C=C)/N=C(C)/C=C/c1ccccc1
InChIInChI=1S/C26H28N2/c1-5-25(27-21(3)17-19-23-13-9-7-10-14-23)26(6-2)28-22(4)18-20-24-15-11-8-12-16-24/h5-20,25-26H,1-2H2,3-4H3/b19-17+,20-18+,27-21+,28-22+
InChIKeyJUOVSEPLDVIDAN-NBISLFODSA-N
MW368.52 g/mol
LogP6.44
Rot. Bonds9

About (E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine

(E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine (PubChem CID 146321202) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is (E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine
PubChem CID146321202
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name(E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine
SMILESC=CC(/N=C(C)/C=C/c1ccccc1)C(C=C)/N=C(C)/C=C/c1ccccc1
InChIInChI=1S/C26H28N2/c1-5-25(27-21(3)17-19-23-13-9-7-10-14-23)26(6-2)28-22(4)18-20-24-15-11-8-12-16-24/h5-20,25-26H,1-2H2,3-4H3/b19-17+,20-18+,27-21+,28-22+
InChIKeyJUOVSEPLDVIDAN-NBISLFODSA-N
XLogP6.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-N,4-diphenylbut-3-en-2-imine
CID 5382915
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron
CID 11111198
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129431826
1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene
CID 143617374

Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine?
The IUPAC name of (E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine (CID 146321202) is (E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine.
What is the SMILES notation for (E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine?
The canonical SMILES for (E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine is C=CC(/N=C(C)/C=C/c1ccccc1)C(C=C)/N=C(C)/C=C/c1ccccc1.
What is the InChIKey of (E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine?
The InChIKey is JUOVSEPLDVIDAN-NBISLFODSA-N. The full InChI is InChI=1S/C26H28N2/c1-5-25(27-21(3)17-19-23-13-9-7-10-14-23)26(6-2)28-22(4)18-20-24-15-11-8-12-16-24/h5-20,25-26H,1-2H2,3-4H3/b19-17+,20-18+,27-21+,28-22+.
What are the key properties of (E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine?
(E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine has a molecular weight of 368.52 g/mol, XLogP of 6.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine is sourced from PubChem (CID 146321202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).