2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline

C31H23F2N — CID 90266492

IUPAC2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline
SMILESCN(c1ccccc1F)c1cc(-c2cccc(-c3ccccc3)c2)c(-c2ccccc2)cc1F
InChIInChI=1S/C31H23F2N/c1-34(30-18-9-8-17-28(30)32)31-21-27(26(20-29(31)33)23-13-6-3-7-14-23)25-16-10-15-24(19-25)22-11-4-2-5-12-22/h2-21H,1H3
InChIKeyYAZILXPHCAJTNA-UHFFFAOYSA-N
MW447.53 g/mol
LogP8.73
Rot. Bonds5

About 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline

2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline (PubChem CID 90266492) has the molecular formula C31H23F2N and a molecular weight of 447.53 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline
PubChem CID90266492
Molecular FormulaC31H23F2N
Molecular Weight447.53 g/mol
Exact Mass447.18
IUPAC Name2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline
SMILESCN(c1ccccc1F)c1cc(-c2cccc(-c3ccccc3)c2)c(-c2ccccc2)cc1F
InChIInChI=1S/C31H23F2N/c1-34(30-18-9-8-17-28(30)32)31-21-27(26(20-29(31)33)23-13-6-3-7-14-23)25-16-10-15-24(19-25)22-11-4-2-5-12-22/h2-21H,1H3
InChIKeyYAZILXPHCAJTNA-UHFFFAOYSA-N
XLogP8.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-5-phenyl-4-(3-phenylphenyl)aniline
CID 90263970
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
CID 90266704
2-fluoro-N-(2-fluorophenyl)-N-methyl-5-phenylaniline
CID 90266693
2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-2-ylphenyl)-4-phenylaniline
CID 90266570
2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline
CID 90266561
2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 90266508
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline
CID 90266590
6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 90266616
4-(9,9-dimethylfluoren-1-yl)-2-fluoro-N-(2-fluorophenyl)-N-methylaniline
CID 90266718
bis(1,3-diphenylbenzene);ethane
CID 144938975
N-methyl-5-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
CID 163451473
N-(2,3-diphenylphenyl)-N-methyl-2,3-diphenylaniline;N-(3,5-diphenylphenyl)-N-methyl-3,5-diphenylaniline;N-methyl-3,5-diphenyl-N-[2-(2-phenylphenyl)phenyl]aniline;N-methyl-3,5-diphenyl-N-[2-(3-phenylphenyl)phenyl]aniline;N-methyl-3,5-diphenyl-N-[2-(4-phenylphenyl)phenyl]aniline
CID 160892739

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline?
The IUPAC name of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline (CID 90266492) is 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline.
What is the SMILES notation for 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline?
The canonical SMILES for 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline is CN(c1ccccc1F)c1cc(-c2cccc(-c3ccccc3)c2)c(-c2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline?
The InChIKey is YAZILXPHCAJTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F2N/c1-34(30-18-9-8-17-28(30)32)31-21-27(26(20-29(31)33)23-13-6-3-7-14-23)25-16-10-15-24(19-25)22-11-4-2-5-12-22/h2-21H,1H3.
What are the key properties of 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline?
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline has a molecular weight of 447.53 g/mol, XLogP of 8.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenyl-5-(3-phenylphenyl)aniline is sourced from PubChem (CID 90266492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).