N-(4-naphthalen-1-ylphenyl)-4-phenylaniline

C28H21N — CID 58900802

IUPACN-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C28H21N/c1-2-7-21(8-3-1)22-13-17-25(18-14-22)29-26-19-15-24(16-20-26)28-12-6-10-23-9-4-5-11-27(23)28/h1-20,29H
InChIKeyDOTSEUKJBPAPGG-UHFFFAOYSA-N
MW371.48 g/mol
LogP7.92
Rot. Bonds4

About N-(4-naphthalen-1-ylphenyl)-4-phenylaniline

N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (PubChem CID 58900802) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-4-phenylaniline
PubChem CID58900802
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC NameN-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C28H21N/c1-2-7-21(8-3-1)22-13-17-25(18-14-22)29-26-19-15-24(16-20-26)28-12-6-10-23-9-4-5-11-27(23)28/h1-20,29H
InChIKeyDOTSEUKJBPAPGG-UHFFFAOYSA-N
XLogP7.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (CID 58900802) is N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(Nc3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The InChIKey is DOTSEUKJBPAPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-2-7-21(8-3-1)22-13-17-25(18-14-22)29-26-19-15-24(16-20-26)28-12-6-10-23-9-4-5-11-27(23)28/h1-20,29H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
N-(4-naphthalen-1-ylphenyl)-4-phenylaniline has a molecular weight of 371.48 g/mol, XLogP of 7.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 58900802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).