4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol

C32H30N2O — CID 143685205

IUPAC4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol
SMILESC=C/C=C(\C=C/C)N(c1ccc(N(C)c2ccc(O)cc2)cc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C32H30N2O/c1-4-10-29(11-5-2)34(31-15-9-14-26(24-31)25-12-7-6-8-13-25)30-18-16-27(17-19-30)33(3)28-20-22-32(35)23-21-28/h4-24,35H,1H2,2-3H3/b11-5-,29-10+
InChIKeyJBLCUERQWHYDCX-MDDAIVICSA-N
MW458.61 g/mol
LogP8.61
Rot. Bonds8

About 4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol

4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol (PubChem CID 143685205) has the molecular formula C32H30N2O and a molecular weight of 458.61 g/mol. Its IUPAC name is 4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol.

Molecular Properties

Compound Name4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol
PubChem CID143685205
Molecular FormulaC32H30N2O
Molecular Weight458.61 g/mol
Exact Mass458.24
IUPAC Name4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol
SMILESC=C/C=C(\C=C/C)N(c1ccc(N(C)c2ccc(O)cc2)cc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C32H30N2O/c1-4-10-29(11-5-2)34(31-15-9-14-26(24-31)25-12-7-6-8-13-25)30-18-16-27(17-19-30)33(3)28-20-22-32(35)23-21-28/h4-24,35H,1H2,2-3H3/b11-5-,29-10+
InChIKeyJBLCUERQWHYDCX-MDDAIVICSA-N
XLogP8.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol 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-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-methyl-N-phenylaniline
CID 143789857
3-[4-[4-(N-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenylanilino)phenyl]-N-methylanilino]benzonitrile
CID 143685353
ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 144918413
N-[4-[4-[dibenzothiophen-3-yl-[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 167093363
ethane;ethene;N-methyl-N,3-diphenylaniline;prop-1-ene
CID 142288143
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]phenyl]phenyl]-N-phenylaniline
CID 155279550
3-methyl-N-[(2E,4Z)-1-[4-[methyl-[(3E)-6-methylhepta-1,3,5-trien-4-yl]amino]phenyl]iminohexa-2,4-dien-3-yl]-N-phenylaniline
CID 144918425
ethane;N-[3-[4-[4-[[(3E)-hexa-1,3,5-trien-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 145407631
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[10-methyl-9-(2-methylphenyl)-5-phenylbenzo[b]carbazol-2-yl]-N-(4-phenylphenyl)aniline
CID 145276945
4-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-N-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anilino)phenyl]-1-N-[4-(N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 154968336
N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine
CID 123458976
ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(1,10-phenanthrolin-3-yl)-N-phenylaniline
CID 142805129

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol?
The IUPAC name of 4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol (CID 143685205) is 4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol.
What is the SMILES notation for 4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol?
The canonical SMILES for 4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol is C=C/C=C(\C=C/C)N(c1ccc(N(C)c2ccc(O)cc2)cc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol?
The InChIKey is JBLCUERQWHYDCX-MDDAIVICSA-N. The full InChI is InChI=1S/C32H30N2O/c1-4-10-29(11-5-2)34(31-15-9-14-26(24-31)25-12-7-6-8-13-25)30-18-16-27(17-19-30)33(3)28-20-22-32(35)23-21-28/h4-24,35H,1H2,2-3H3/b11-5-,29-10+.
What are the key properties of 4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol?
4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol has a molecular weight of 458.61 g/mol, XLogP of 8.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol is sourced from PubChem (CID 143685205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).