(Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione

C29H23NO2 — CID 6063122

IUPAC(Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione
SMILESCN(/C(=C\C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H23NO2/c1-30(26-19-17-23(18-20-26)22-11-5-2-6-12-22)27(29(32)25-15-9-4-10-16-25)21-28(31)24-13-7-3-8-14-24/h2-21H,1H3/b27-21-
InChIKeyPHCFCRAWEDDCOD-MEFGMAGPSA-N
MW417.51 g/mol
LogP6.44
Rot. Bonds7

About (Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione

(Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione (PubChem CID 6063122) has the molecular formula C29H23NO2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione.

Molecular Properties

Compound Name(Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione
PubChem CID6063122
Molecular FormulaC29H23NO2
Molecular Weight417.51 g/mol
Exact Mass417.17
IUPAC Name(Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione
SMILESCN(/C(=C\C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H23NO2/c1-30(26-19-17-23(18-20-26)22-11-5-2-6-12-22)27(29(32)25-15-9-4-10-16-25)21-28(31)24-13-7-3-8-14-24/h2-21H,1H3/b27-21-
InChIKeyPHCFCRAWEDDCOD-MEFGMAGPSA-N
XLogP6.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione with MolForge

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Related Compounds

(E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
CID 177386249
2-hydroxy-N-methyl-N-(4-phenylphenyl)acetamide
CID 115139692
(E)-3-(dimethylamino)-1-phenylbut-2-en-1-one
CID 11019632
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 102206203
(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
CID 5369696
methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate
CID 115142268
(Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one
CID 10060825
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione
CID 177497438
3-amino-N,2-dimethyl-N-(4-phenylphenyl)propanamide
CID 115153554

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione?
The IUPAC name of (Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione (CID 6063122) is (Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione.
What is the SMILES notation for (Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione?
The canonical SMILES for (Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione is CN(/C(=C\C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione?
The InChIKey is PHCFCRAWEDDCOD-MEFGMAGPSA-N. The full InChI is InChI=1S/C29H23NO2/c1-30(26-19-17-23(18-20-26)22-11-5-2-6-12-22)27(29(32)25-15-9-4-10-16-25)21-28(31)24-13-7-3-8-14-24/h2-21H,1H3/b27-21-.
What are the key properties of (Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione?
(Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione has a molecular weight of 417.51 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione is sourced from PubChem (CID 6063122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).