6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline

C35H25F2N — CID 90266616

IUPAC6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESCN(c1ccccc1F)c1c(F)ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)c1-c1ccccc1
InChIInChI=1S/C35H25F2N/c1-38(33-14-8-7-13-31(33)36)35-32(37)22-21-30(34(35)27-10-3-2-4-11-27)26-18-15-25(16-19-26)29-20-17-24-9-5-6-12-28(24)23-29/h2-23H,1H3
InChIKeyJGEBYCIWCFTBGV-UHFFFAOYSA-N
MW497.59 g/mol
LogP9.89
Rot. Bonds5

About 6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline

6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline (PubChem CID 90266616) has the molecular formula C35H25F2N and a molecular weight of 497.59 g/mol. Its IUPAC name is 6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound Name6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline
PubChem CID90266616
Molecular FormulaC35H25F2N
Molecular Weight497.59 g/mol
Exact Mass497.20
IUPAC Name6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESCN(c1ccccc1F)c1c(F)ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)c1-c1ccccc1
InChIInChI=1S/C35H25F2N/c1-38(33-14-8-7-13-31(33)36)35-32(37)22-21-30(34(35)27-10-3-2-4-11-27)26-18-15-25(16-19-26)29-20-17-24-9-5-6-12-28(24)23-29/h2-23H,1H3
InChIKeyJGEBYCIWCFTBGV-UHFFFAOYSA-N
XLogP9.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 90266508
2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-2-ylphenyl)-4-phenylaniline
CID 90266570
N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 90264016
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-naphthalen-2-ylaniline
CID 90266590
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
CID 90266704
9-(5-naphthalen-2-yl-2-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 176775937
N-methyl-N-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 163929020
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527339
2-(3,4,5-triphenylphenyl)naphthalene
CID 54408952
N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168789431
2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline
CID 90266561
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The IUPAC name of 6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline (CID 90266616) is 6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline.
What is the SMILES notation for 6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The canonical SMILES for 6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline is CN(c1ccccc1F)c1c(F)ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)c1-c1ccccc1.
What is the InChIKey of 6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The InChIKey is JGEBYCIWCFTBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F2N/c1-38(33-14-8-7-13-31(33)36)35-32(37)22-21-30(34(35)27-10-3-2-4-11-27)26-18-15-25(16-19-26)29-20-17-24-9-5-6-12-28(24)23-29/h2-23H,1H3.
What are the key properties of 6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline has a molecular weight of 497.59 g/mol, XLogP of 9.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 90266616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).