2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline

C35H25F2N — CID 90266561

IUPAC2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESCN(c1ccccc1F)c1c(F)cc(-c2ccccc2)cc1-c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C35H25F2N/c1-38(34-20-8-7-19-32(34)36)35-31(22-28(23-33(35)37)24-11-3-2-4-12-24)27-16-9-15-26(21-27)30-18-10-14-25-13-5-6-17-29(25)30/h2-23H,1H3
InChIKeyGNBNGNZJQLSBEY-UHFFFAOYSA-N
MW497.59 g/mol
LogP9.89
Rot. Bonds5

About 2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline

2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline (PubChem CID 90266561) has the molecular formula C35H25F2N and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound Name2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline
PubChem CID90266561
Molecular FormulaC35H25F2N
Molecular Weight497.59 g/mol
Exact Mass497.20
IUPAC Name2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESCN(c1ccccc1F)c1c(F)cc(-c2ccccc2)cc1-c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C35H25F2N/c1-38(34-20-8-7-19-32(34)36)35-31(22-28(23-33(35)37)24-11-3-2-4-12-24)27-16-9-15-26(21-27)30-18-10-14-25-13-5-6-17-29(25)30/h2-23H,1H3
InChIKeyGNBNGNZJQLSBEY-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
N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline
CID 70877185
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine
CID 59327767
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
CID 90266704
N-(3-naphthalen-1-ylphenyl)-3,5-diphenyl-N-(2-phenylphenyl)aniline
CID 167324104
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
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
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 90266616
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline?
The IUPAC name of 2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline (CID 90266561) is 2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline.
What is the SMILES notation for 2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline?
The canonical SMILES for 2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline is CN(c1ccccc1F)c1c(F)cc(-c2ccccc2)cc1-c1cccc(-c2cccc3ccccc23)c1.
What is the InChIKey of 2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline?
The InChIKey is GNBNGNZJQLSBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F2N/c1-38(34-20-8-7-19-32(34)36)35-31(22-28(23-33(35)37)24-11-3-2-4-12-24)27-16-9-15-26(21-27)30-18-10-14-25-13-5-6-17-29(25)30/h2-23H,1H3.
What are the key properties of 2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline?
2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-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 2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-1-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 90266561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).