N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

C30H25N — CID 142481987

IUPACN,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESCc1ccccc1N(C)c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C30H25N/c1-22-7-3-6-10-30(22)31(2)29-19-17-25(18-20-29)24-11-13-26(14-12-24)28-16-15-23-8-4-5-9-27(23)21-28/h3-21H,1-2H3
InChIKeyASKPFCLXCCOPRS-UHFFFAOYSA-N
MW399.54 g/mol
LogP8.25
Rot. Bonds4

About N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 142481987) has the molecular formula C30H25N and a molecular weight of 399.54 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID142481987
Molecular FormulaC30H25N
Molecular Weight399.54 g/mol
Exact Mass399.20
IUPAC NameN,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESCc1ccccc1N(C)c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C30H25N/c1-22-7-3-6-10-30(22)31(2)29-19-17-25(18-20-29)24-11-13-26(14-12-24)28-16-15-23-8-4-5-9-27(23)21-28/h3-21H,1-2H3
InChIKeyASKPFCLXCCOPRS-UHFFFAOYSA-N
XLogP8.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (CID 142481987) is N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is Cc1ccccc1N(C)c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is ASKPFCLXCCOPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N/c1-22-7-3-6-10-30(22)31(2)29-19-17-25(18-20-29)24-11-13-26(14-12-24)28-16-15-23-8-4-5-9-27(23)21-28/h3-21H,1-2H3.
What are the key properties of N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 399.54 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 142481987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).