benzene;N,2-diphenylaniline

C24H21N — CID 175029921

IUPACbenzene;N,2-diphenylaniline
SMILESc1ccc(Nc2ccccc2-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C18H15N.C6H6/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16;1-2-4-6-5-3-1/h1-14,19H;1-6H
InChIKeyDUKDTKHZYQEMDB-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.78
Rot. Bonds3

About benzene;N,2-diphenylaniline

benzene;N,2-diphenylaniline (PubChem CID 175029921) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is benzene;N,2-diphenylaniline.

Molecular Properties

Compound Namebenzene;N,2-diphenylaniline
PubChem CID175029921
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Namebenzene;N,2-diphenylaniline
SMILESc1ccc(Nc2ccccc2-c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C18H15N.C6H6/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16;1-2-4-6-5-3-1/h1-14,19H;1-6H
InChIKeyDUKDTKHZYQEMDB-UHFFFAOYSA-N
XLogP6.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;N,2-diphenylaniline?
The IUPAC name of benzene;N,2-diphenylaniline (CID 175029921) is benzene;N,2-diphenylaniline.
What is the SMILES notation for benzene;N,2-diphenylaniline?
The canonical SMILES for benzene;N,2-diphenylaniline is c1ccc(Nc2ccccc2-c2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;N,2-diphenylaniline?
The InChIKey is DUKDTKHZYQEMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C6H6/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16;1-2-4-6-5-3-1/h1-14,19H;1-6H.
What are the key properties of benzene;N,2-diphenylaniline?
benzene;N,2-diphenylaniline has a molecular weight of 323.44 g/mol, XLogP of 6.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N,2-diphenylaniline is sourced from PubChem (CID 175029921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).