N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline

C32H32N2O — CID 57169544

IUPACN-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline
SMILESC=CC(CN(c1ccccc1)c1ccccc1)OC(C=C)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O/c1-3-31(25-33(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35-32(4-2)26-34(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h3-24,31-32H,1-2,25-26H2
InChIKeyXZUZCKCOLCFJEV-UHFFFAOYSA-N
MW460.62 g/mol
LogP7.79
Rot. Bonds12

About N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline

N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline (PubChem CID 57169544) has the molecular formula C32H32N2O and a molecular weight of 460.62 g/mol. Its IUPAC name is N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline
PubChem CID57169544
Molecular FormulaC32H32N2O
Molecular Weight460.62 g/mol
Exact Mass460.25
IUPAC NameN-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline
SMILESC=CC(CN(c1ccccc1)c1ccccc1)OC(C=C)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O/c1-3-31(25-33(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35-32(4-2)26-34(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h3-24,31-32H,1-2,25-26H2
InChIKeyXZUZCKCOLCFJEV-UHFFFAOYSA-N
XLogP7.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline?
The IUPAC name of N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline (CID 57169544) is N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline.
What is the SMILES notation for N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline?
The canonical SMILES for N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline is C=CC(CN(c1ccccc1)c1ccccc1)OC(C=C)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline?
The InChIKey is XZUZCKCOLCFJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O/c1-3-31(25-33(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35-32(4-2)26-34(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h3-24,31-32H,1-2,25-26H2.
What are the key properties of N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline?
N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline has a molecular weight of 460.62 g/mol, XLogP of 7.79, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline is sourced from PubChem (CID 57169544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).