N,N-diphenylaniline;2-phenylacetic acid

C26H23NO2 — CID 162173995

IUPACN,N-diphenylaniline;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C8H8O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-8(10)6-7-4-2-1-3-5-7/h1-15H;1-5H,6H2,(H,9,10)
InChIKeyZODNNNWYMHALPE-UHFFFAOYSA-N
MW381.48 g/mol
LogP6.47
Rot. Bonds5

About N,N-diphenylaniline;2-phenylacetic acid

N,N-diphenylaniline;2-phenylacetic acid (PubChem CID 162173995) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N,N-diphenylaniline;2-phenylacetic acid.

Molecular Properties

Compound NameN,N-diphenylaniline;2-phenylacetic acid
PubChem CID162173995
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC NameN,N-diphenylaniline;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C8H8O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-8(10)6-7-4-2-1-3-5-7/h1-15H;1-5H,6H2,(H,9,10)
InChIKeyZODNNNWYMHALPE-UHFFFAOYSA-N
XLogP6.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenylaniline;2-phenylacetic acid?
The IUPAC name of N,N-diphenylaniline;2-phenylacetic acid (CID 162173995) is N,N-diphenylaniline;2-phenylacetic acid.
What is the SMILES notation for N,N-diphenylaniline;2-phenylacetic acid?
The canonical SMILES for N,N-diphenylaniline;2-phenylacetic acid is O=C(O)Cc1ccccc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenylaniline;2-phenylacetic acid?
The InChIKey is ZODNNNWYMHALPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C8H8O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-8(10)6-7-4-2-1-3-5-7/h1-15H;1-5H,6H2,(H,9,10).
What are the key properties of N,N-diphenylaniline;2-phenylacetic acid?
N,N-diphenylaniline;2-phenylacetic acid has a molecular weight of 381.48 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylaniline;2-phenylacetic acid is sourced from PubChem (CID 162173995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).