4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline

C24H20N2 — CID 101246794

IUPAC4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(NCc4ccccn4)cc3)cc2)cc1
InChIInChI=1S/C24H20N2/c1-2-6-19(7-3-1)20-9-11-21(12-10-20)22-13-15-23(16-14-22)26-18-24-8-4-5-17-25-24/h1-17,26H,18H2
InChIKeyZHNFBMATNHCWMD-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.03
Rot. Bonds5

About 4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline

4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline (PubChem CID 101246794) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
PubChem CID101246794
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(NCc4ccccn4)cc3)cc2)cc1
InChIInChI=1S/C24H20N2/c1-2-6-19(7-3-1)20-9-11-21(12-10-20)22-13-15-23(16-14-22)26-18-24-8-4-5-17-25-24/h1-17,26H,18H2
InChIKeyZHNFBMATNHCWMD-UHFFFAOYSA-N
XLogP6.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline (CID 101246794) is 4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline is c1ccc(-c2ccc(-c3ccc(NCc4ccccn4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is ZHNFBMATNHCWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-2-6-19(7-3-1)20-9-11-21(12-10-20)22-13-15-23(16-14-22)26-18-24-8-4-5-17-25-24/h1-17,26H,18H2.
What are the key properties of 4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline?
4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 336.44 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 101246794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).