4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid

C26H21NO2 — CID 175081010

IUPAC4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H21NO2/c28-26(29)22-15-11-20(12-16-22)19-21-13-17-25(18-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18H,19H2,(H,28,29)
InChIKeyMXIGFJTXEWQHSV-UHFFFAOYSA-N
MW379.46 g/mol
LogP6.45
Rot. Bonds6

About 4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid

4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid (PubChem CID 175081010) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid
PubChem CID175081010
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H21NO2/c28-26(29)22-15-11-20(12-16-22)19-21-13-17-25(18-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18H,19H2,(H,28,29)
InChIKeyMXIGFJTXEWQHSV-UHFFFAOYSA-N
XLogP6.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
4-(N-(4-sulfamoylphenyl)anilino)benzoic acid
CID 174477700
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
4-(4-formyl-N-(4-formylphenyl)anilino)benzoic acid
CID 87579958
3-(N-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(N-(3-carboxyphenyl)anilino)anilino]anilino]anilino]phenyl]anilino)benzoic acid
CID 101061815
4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine
CID 162039964
4-benzyl-N-[4-[2-[4-[2-[4-(N-(4-benzylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59922719
2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one
CID 86015033
[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
4-[amino-(N-aminoanilino)amino]benzoic acid;ethanethiol
CID 144503984
acetic acid;4-acetylbenzoic acid;4-[(4-carboxyphenyl)methyl]benzoic acid;methane;naphthalene
CID 157146063
4-[3-(N-ethylanilino)-3-oxopropyl]benzoic acid
CID 82071678

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid?
The IUPAC name of 4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid (CID 175081010) is 4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid.
What is the SMILES notation for 4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid?
The canonical SMILES for 4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid is O=C(O)c1ccc(Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid?
The InChIKey is MXIGFJTXEWQHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2/c28-26(29)22-15-11-20(12-16-22)19-21-13-17-25(18-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18H,19H2,(H,28,29).
What are the key properties of 4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid?
4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid has a molecular weight of 379.46 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid is sourced from PubChem (CID 175081010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).