2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline

C32H23N — CID 126709673

IUPAC2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(Nc2ccccc2-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C32H23N/c1-3-16-27-23(10-1)12-8-19-29(27)25-14-7-15-26(22-25)33-32-21-6-5-18-31(32)30-20-9-13-24-11-2-4-17-28(24)30/h1-22,33H
InChIKeyMCNLGDYULPIWRZ-UHFFFAOYSA-N
MW421.54 g/mol
LogP9.07
Rot. Bonds4

About 2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline

2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 126709673) has the molecular formula C32H23N and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
PubChem CID126709673
Molecular FormulaC32H23N
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC Name2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(Nc2ccccc2-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C32H23N/c1-3-16-27-23(10-1)12-8-19-29(27)25-14-7-15-26(22-25)33-32-21-6-5-18-31(32)30-20-9-13-24-11-2-4-17-28(24)30/h1-22,33H
InChIKeyMCNLGDYULPIWRZ-UHFFFAOYSA-N
XLogP9.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168766680
3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119
2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
CID 170181035
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775546
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813
N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298496

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline (CID 126709673) is 2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline is c1cc(Nc2ccccc2-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The InChIKey is MCNLGDYULPIWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N/c1-3-16-27-23(10-1)12-8-19-29(27)25-14-7-15-26(22-25)33-32-21-6-5-18-31(32)30-20-9-13-24-11-2-4-17-28(24)30/h1-22,33H.
What are the key properties of 2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline has a molecular weight of 421.54 g/mol, XLogP of 9.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 126709673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).