N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline

C34H25N — CID 177069740

IUPACN-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3Nc3cccc(-c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C34H25N/c1-2-10-25(11-3-1)26-20-22-28(23-21-26)33-17-6-7-19-34(33)35-30-15-8-14-29(24-30)32-18-9-13-27-12-4-5-16-31(27)32/h1-24,35H
InChIKeyOWYVBAYBZYQABO-UHFFFAOYSA-N
MW447.58 g/mol
LogP9.58
Rot. Bonds5

About N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline

N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 177069740) has the molecular formula C34H25N and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
PubChem CID177069740
Molecular FormulaC34H25N
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC NameN-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3Nc3cccc(-c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C34H25N/c1-2-10-25(11-3-1)26-20-22-28(23-21-26)33-17-6-7-19-34(33)35-30-15-8-14-29(24-30)32-18-9-13-27-12-4-5-16-31(27)32/h1-24,35H
InChIKeyOWYVBAYBZYQABO-UHFFFAOYSA-N
XLogP9.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119
N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline
CID 89331007
N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170181041
2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
CID 170181035
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
N-[3-[4-(1-benzothiophen-5-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 170181051
N-(3-dibenzofuran-1-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775546

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline (CID 177069740) is N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3Nc3cccc(-c4cccc5ccccc45)c3)cc2)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
The InChIKey is OWYVBAYBZYQABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N/c1-2-10-25(11-3-1)26-20-22-28(23-21-26)33-17-6-7-19-34(33)35-30-15-8-14-29(24-30)32-18-9-13-27-12-4-5-16-31(27)32/h1-24,35H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline has a molecular weight of 447.58 g/mol, XLogP of 9.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 177069740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).