dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate

C29H24N2O4 — CID 101466674

IUPACdimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate
SMILESCOC(=O)c1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(C(=O)OC)n1
InChIInChI=1S/C29H24N2O4/c1-34-28(32)26-19-22(20-27(30-26)29(33)35-2)14-13-21-15-17-25(18-16-21)31(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20H,1-2H3/b14-13+
InChIKeyAWLIEYBZXOWWMM-BUHFOSPRSA-N
MW464.52 g/mol
LogP6.30
Rot. Bonds7

About dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate

dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate (PubChem CID 101466674) has the molecular formula C29H24N2O4 and a molecular weight of 464.52 g/mol. Its IUPAC name is dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate
PubChem CID101466674
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC Namedimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate
SMILESCOC(=O)c1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(C(=O)OC)n1
InChIInChI=1S/C29H24N2O4/c1-34-28(32)26-19-22(20-27(30-26)29(33)35-2)14-13-21-15-17-25(18-16-21)31(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20H,1-2H3/b14-13+
InChIKeyAWLIEYBZXOWWMM-BUHFOSPRSA-N
XLogP6.30
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate
CID 53486705
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
dimethyl 6-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylate
CID 11089322
methyl 4-[4-[(E)-2-pyridin-4-ylethenyl]-N-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]anilino]benzoate
CID 24814387
methyl 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-2-carboxylate
CID 141430755
4-[(E)-2-[4,6-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]-N,N-diphenylaniline
CID 102184385
1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone
CID 44557812
methyl 2-methoxy-5-(N-phenylanilino)benzoate
CID 90352051
dimethyl 5-(N-phenylanilino)benzene-1,3-dicarboxylate
CID 132511760
6-[2,6-dimethoxy-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenoxy]hexanoic acid
CID 25192213

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate?
The IUPAC name of dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate (CID 101466674) is dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate is COC(=O)c1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(C(=O)OC)n1.
What is the InChIKey of dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate?
The InChIKey is AWLIEYBZXOWWMM-BUHFOSPRSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-34-28(32)26-19-22(20-27(30-26)29(33)35-2)14-13-21-15-17-25(18-16-21)31(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20H,1-2H3/b14-13+.
What are the key properties of dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate?
dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate has a molecular weight of 464.52 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate is sourced from PubChem (CID 101466674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).