N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline

C25H23N — CID 88961504

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline
SMILESC=C/C=C\C=C(/C)N(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23N/c1-3-4-7-12-21(2)26(24-15-10-6-11-16-24)25-19-17-23(18-20-25)22-13-8-5-9-14-22/h3-20H,1H2,2H3/b7-4-,21-12+
InChIKeyGKZDSLVLJXNSMF-QDMWJLNPSA-N
MW337.47 g/mol
LogP7.14
Rot. Bonds6

About N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline

N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline (PubChem CID 88961504) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline
PubChem CID88961504
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline
SMILESC=C/C=C\C=C(/C)N(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23N/c1-3-4-7-12-21(2)26(24-15-10-6-11-16-24)25-19-17-23(18-20-25)22-13-8-5-9-14-22/h3-20H,1H2,2H3/b7-4-,21-12+
InChIKeyGKZDSLVLJXNSMF-QDMWJLNPSA-N
XLogP7.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
CID 89229629
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-iodoaniline
CID 170206355
1-N,1-N-diphenyl-4-N-[(2E,4E)-5-(N-[4-(N-phenylanilino)phenyl]anilino)hepta-2,4,6-trien-2-yl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 130205076
4-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)phenyl]-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154980803
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline
CID 144920579
3-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1-N,1-N,3-N-triphenylphenanthrene-1,3-diamine
CID 166867609
N-[4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 166937509
4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)phenyl]-N,N-diphenylaniline
CID 144794332
N-[4-[4-[[3-[(1Z)-buta-1,3-dienyl]-4-methylnaphthalen-1-yl]-[(2E,4Z)-hepta-2,4,6-trien-2-yl]amino]phenyl]phenyl]-N-phenyltricyclo[9.4.0.02,7]pentadeca-1,3,5,7,10,12,14-heptaen-8-amine
CID 166990122
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline
CID 89264612
1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide
CID 159308382
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline (CID 88961504) is N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline is C=C/C=C\C=C(/C)N(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline?
The InChIKey is GKZDSLVLJXNSMF-QDMWJLNPSA-N. The full InChI is InChI=1S/C25H23N/c1-3-4-7-12-21(2)26(24-15-10-6-11-16-24)25-19-17-23(18-20-25)22-13-8-5-9-14-22/h3-20H,1H2,2H3/b7-4-,21-12+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline?
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline has a molecular weight of 337.47 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline is sourced from PubChem (CID 88961504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).