4-(4-ethynylphenyl)-N,N-diphenylaniline

C26H19N — CID 88906587

IUPAC4-(4-ethynylphenyl)-N,N-diphenylaniline
SMILESC#Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H19N/c1-2-21-13-15-22(16-14-21)23-17-19-26(20-18-23)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h1,3-20H
InChIKeyLQDQKPXLJRIDQF-UHFFFAOYSA-N
MW345.45 g/mol
LogP6.80
Rot. Bonds4

About 4-(4-ethynylphenyl)-N,N-diphenylaniline

4-(4-ethynylphenyl)-N,N-diphenylaniline (PubChem CID 88906587) has the molecular formula C26H19N and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(4-ethynylphenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(4-ethynylphenyl)-N,N-diphenylaniline
PubChem CID88906587
Molecular FormulaC26H19N
Molecular Weight345.45 g/mol
Exact Mass345.15
IUPAC Name4-(4-ethynylphenyl)-N,N-diphenylaniline
SMILESC#Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H19N/c1-2-21-13-15-22(16-14-21)23-17-19-26(20-18-23)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h1,3-20H
InChIKeyLQDQKPXLJRIDQF-UHFFFAOYSA-N
XLogP6.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-ethynylphenyl)-N,N-diphenylaniline 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-[4-[4-(N-[4-[4-(4-ethynylphenyl)phenyl]phenyl]anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-[4-[4-(4-ethynylphenyl)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161124774
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-4-[2-tri(propan-2-yl)silylethynyl]aniline;4-ethynyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 158079930
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethynylphenyl)-N,N-diphenylaniline?
The IUPAC name of 4-(4-ethynylphenyl)-N,N-diphenylaniline (CID 88906587) is 4-(4-ethynylphenyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(4-ethynylphenyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(4-ethynylphenyl)-N,N-diphenylaniline is C#Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-ethynylphenyl)-N,N-diphenylaniline?
The InChIKey is LQDQKPXLJRIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N/c1-2-21-13-15-22(16-14-21)23-17-19-26(20-18-23)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h1,3-20H.
What are the key properties of 4-(4-ethynylphenyl)-N,N-diphenylaniline?
4-(4-ethynylphenyl)-N,N-diphenylaniline has a molecular weight of 345.45 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethynylphenyl)-N,N-diphenylaniline is sourced from PubChem (CID 88906587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).