4-(2,2-diphenylethenyl)-N,N-diphenylaniline

C32H25N — CID 3861111

IUPAC4-(2,2-diphenylethenyl)-N,N-diphenylaniline
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H25N/c1-5-13-27(14-6-1)32(28-15-7-2-8-16-28)25-26-21-23-31(24-22-26)33(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-25H
InChIKeyNIZIGUQDQIALBQ-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.75
Rot. Bonds6

About 4-(2,2-diphenylethenyl)-N,N-diphenylaniline

4-(2,2-diphenylethenyl)-N,N-diphenylaniline (PubChem CID 3861111) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-(2,2-diphenylethenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(2,2-diphenylethenyl)-N,N-diphenylaniline
PubChem CID3861111
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name4-(2,2-diphenylethenyl)-N,N-diphenylaniline
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H25N/c1-5-13-27(14-6-1)32(28-15-7-2-8-16-28)25-26-21-23-31(24-22-26)33(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-25H
InChIKeyNIZIGUQDQIALBQ-UHFFFAOYSA-N
XLogP8.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylethenyl)-N,N-diphenylaniline?
The IUPAC name of 4-(2,2-diphenylethenyl)-N,N-diphenylaniline (CID 3861111) is 4-(2,2-diphenylethenyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(2,2-diphenylethenyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(2,2-diphenylethenyl)-N,N-diphenylaniline is C(=C(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(2,2-diphenylethenyl)-N,N-diphenylaniline?
The InChIKey is NIZIGUQDQIALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-5-13-27(14-6-1)32(28-15-7-2-8-16-28)25-26-21-23-31(24-22-26)33(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-25H.
What are the key properties of 4-(2,2-diphenylethenyl)-N,N-diphenylaniline?
4-(2,2-diphenylethenyl)-N,N-diphenylaniline has a molecular weight of 423.56 g/mol, XLogP of 8.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylethenyl)-N,N-diphenylaniline is sourced from PubChem (CID 3861111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).