3-(4-naphthalen-1-ylphenyl)aniline

C22H17N — CID 154675291

IUPAC3-(4-naphthalen-1-ylphenyl)aniline
SMILESNc1cccc(-c2ccc(-c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C22H17N/c23-20-8-3-7-19(15-20)16-11-13-18(14-12-16)22-10-4-6-17-5-1-2-9-21(17)22/h1-15H,23H2
InChIKeyWTAHLDDOISSGHQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP5.76
Rot. Bonds2

About 3-(4-naphthalen-1-ylphenyl)aniline

3-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 154675291) has the molecular formula C22H17N and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name3-(4-naphthalen-1-ylphenyl)aniline
PubChem CID154675291
Molecular FormulaC22H17N
Molecular Weight295.39 g/mol
Exact Mass295.14
IUPAC Name3-(4-naphthalen-1-ylphenyl)aniline
SMILESNc1cccc(-c2ccc(-c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C22H17N/c23-20-8-3-7-19(15-20)16-11-13-18(14-12-16)22-10-4-6-17-5-1-2-9-21(17)22/h1-15H,23H2
InChIKeyWTAHLDDOISSGHQ-UHFFFAOYSA-N
XLogP5.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.39
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
4-(4-naphthalen-1-ylphenyl)-3-phenylaniline
CID 153294004
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
5-phenylnaphthalen-2-amine
CID 66729016
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
9-naphthalen-1-yl-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 142696935
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 158833777
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 3-(4-naphthalen-1-ylphenyl)aniline (CID 154675291) is 3-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 3-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 3-(4-naphthalen-1-ylphenyl)aniline is Nc1cccc(-c2ccc(-c3cccc4ccccc34)cc2)c1.
What is the InChIKey of 3-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is WTAHLDDOISSGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N/c23-20-8-3-7-19(15-20)16-11-13-18(14-12-16)22-10-4-6-17-5-1-2-9-21(17)22/h1-15H,23H2.
What are the key properties of 3-(4-naphthalen-1-ylphenyl)aniline?
3-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 295.39 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 154675291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).