N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline

C38H31F2N — CID 90264016

IUPACN-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESCC(C)(C)N(c1ccccc1F)c1c(F)ccc(-c2cccc(-c3ccc4ccccc4c3)c2)c1-c1ccccc1
InChIInChI=1S/C38H31F2N/c1-38(2,3)41(35-19-10-9-18-33(35)39)37-34(40)23-22-32(36(37)27-13-5-4-6-14-27)31-17-11-16-29(25-31)30-21-20-26-12-7-8-15-28(26)24-30/h4-25H,1-3H3
InChIKeyHEHWFWBADMCRTC-UHFFFAOYSA-N
MW539.67 g/mol
LogP11.06
Rot. Bonds5

About N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline

N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline (PubChem CID 90264016) has the molecular formula C38H31F2N and a molecular weight of 539.67 g/mol. Its IUPAC name is N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline
PubChem CID90264016
Molecular FormulaC38H31F2N
Molecular Weight539.67 g/mol
Exact Mass539.24
IUPAC NameN-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESCC(C)(C)N(c1ccccc1F)c1c(F)ccc(-c2cccc(-c3ccc4ccccc4c3)c2)c1-c1ccccc1
InChIInChI=1S/C38H31F2N/c1-38(2,3)41(35-19-10-9-18-33(35)39)37-34(40)23-22-32(36(37)27-13-5-4-6-14-27)31-17-11-16-29(25-31)30-21-20-26-12-7-8-15-28(26)24-30/h4-25H,1-3H3
InChIKeyHEHWFWBADMCRTC-UHFFFAOYSA-N
XLogP11.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.67
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-(2-fluorophenyl)-N-methyl-3-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 90266616
2-fluoro-N-(2-fluorophenyl)-N-methyl-6-(3-naphthalen-2-ylphenyl)-4-phenylaniline
CID 90266570
N-tert-butyl-2-fluoro-N-(2-fluorophenyl)-6-phenyl-4-(4-phenylphenyl)aniline
CID 90263984
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
9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene
CID 144837172
2-(2-fluoro-6-naphthalen-2-ylphenyl)propan-2-ol
CID 164521022
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
1-N,6-N-bis(6-fluoro-2,3-dinaphthalen-1-ylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-fluoro-2,3-dinaphthalen-2-ylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 157391856
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
N-(4-tert-butylphenyl)-2,3-dinaphthalen-2-yl-N-phenylaniline
CID 177097061
N-[4-[3-[3-[4-[4-[4-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 167265702

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline?
The IUPAC name of N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline (CID 90264016) is N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline is CC(C)(C)N(c1ccccc1F)c1c(F)ccc(-c2cccc(-c3ccc4ccccc4c3)c2)c1-c1ccccc1.
What is the InChIKey of N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline?
The InChIKey is HEHWFWBADMCRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31F2N/c1-38(2,3)41(35-19-10-9-18-33(35)39)37-34(40)23-22-32(36(37)27-13-5-4-6-14-27)31-17-11-16-29(25-31)30-21-20-26-12-7-8-15-28(26)24-30/h4-25H,1-3H3.
What are the key properties of N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline?
N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline has a molecular weight of 539.67 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-fluoro-N-(2-fluorophenyl)-3-(3-naphthalen-2-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 90264016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).