N,N-diphenyl-4-pyridin-4-ylaniline

C23H18N2 — CID 101469024

IUPACN,N-diphenyl-4-pyridin-4-ylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H18N2/c1-3-7-21(8-4-1)25(22-9-5-2-6-10-22)23-13-11-19(12-14-23)20-15-17-24-18-16-20/h1-18H
InChIKeyGZELGTGPJCTWPF-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.22
Rot. Bonds4

About N,N-diphenyl-4-pyridin-4-ylaniline

N,N-diphenyl-4-pyridin-4-ylaniline (PubChem CID 101469024) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N,N-diphenyl-4-pyridin-4-ylaniline.

Molecular Properties

Compound NameN,N-diphenyl-4-pyridin-4-ylaniline
PubChem CID101469024
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC NameN,N-diphenyl-4-pyridin-4-ylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H18N2/c1-3-7-21(8-4-1)25(22-9-5-2-6-10-22)23-13-11-19(12-14-23)20-15-17-24-18-16-20/h1-18H
InChIKeyGZELGTGPJCTWPF-UHFFFAOYSA-N
XLogP6.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-pyridin-4-ylaniline?
The IUPAC name of N,N-diphenyl-4-pyridin-4-ylaniline (CID 101469024) is N,N-diphenyl-4-pyridin-4-ylaniline.
What is the SMILES notation for N,N-diphenyl-4-pyridin-4-ylaniline?
The canonical SMILES for N,N-diphenyl-4-pyridin-4-ylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-pyridin-4-ylaniline?
The InChIKey is GZELGTGPJCTWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-3-7-21(8-4-1)25(22-9-5-2-6-10-22)23-13-11-19(12-14-23)20-15-17-24-18-16-20/h1-18H.
What are the key properties of N,N-diphenyl-4-pyridin-4-ylaniline?
N,N-diphenyl-4-pyridin-4-ylaniline has a molecular weight of 322.41 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-pyridin-4-ylaniline is sourced from PubChem (CID 101469024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).