1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine

C40H38F6N2 — CID 142084157

IUPAC1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3cccc(C(F)(F)F)c3)cc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C40H38F6N2/c1-37(2,3)27-13-17-31(18-14-27)47(35-11-7-9-29(25-35)39(41,42)43)33-21-23-34(24-22-33)48(32-19-15-28(16-20-32)38(4,5)6)36-12-8-10-30(26-36)40(44,45)46/h7-26H,1-6H3
InChIKeyGZLZYCPWFNVHAV-UHFFFAOYSA-N
MW660.75 g/mol
LogP13.26
Rot. Bonds6

About 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine

1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine (PubChem CID 142084157) has the molecular formula C40H38F6N2 and a molecular weight of 660.75 g/mol. Its IUPAC name is 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
PubChem CID142084157
Molecular FormulaC40H38F6N2
Molecular Weight660.75 g/mol
Exact Mass660.29
IUPAC Name1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3cccc(C(F)(F)F)c3)cc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C40H38F6N2/c1-37(2,3)27-13-17-31(18-14-27)47(35-11-7-9-29(25-35)39(41,42)43)33-21-23-34(24-22-33)48(32-19-15-28(16-20-32)38(4,5)6)36-12-8-10-30(26-36)40(44,45)46/h7-26H,1-6H3
InChIKeyGZLZYCPWFNVHAV-UHFFFAOYSA-N
XLogP13.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.75
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine 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

N,N-bis(4-tert-butylphenyl)-3-methylaniline
CID 139326638
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 15218997
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 90097413
N,N-bis(4-tert-butylphenyl)-3-iodoaniline
CID 142315159
4-tert-butyl-N,N-diphenylaniline
CID 11312667
N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
CID 122463724
ethane;N-methyl-N-[4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 91535424
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline
CID 176854873
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514
N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 59479747
N,N-bis(4-chlorophenyl)-3-(trifluoromethyl)aniline;N,N-bis[4-(3-methylphenyl)phenyl]-3-(trifluoromethyl)aniline;1-chloro-3-methylbenzene;methane
CID 158363433

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine (CID 142084157) is 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine is CC(C)(C)c1ccc(N(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3cccc(C(F)(F)F)c3)cc2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The InChIKey is GZLZYCPWFNVHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38F6N2/c1-37(2,3)27-13-17-31(18-14-27)47(35-11-7-9-29(25-35)39(41,42)43)33-21-23-34(24-22-33)48(32-19-15-28(16-20-32)38(4,5)6)36-12-8-10-30(26-36)40(44,45)46/h7-26H,1-6H3.
What are the key properties of 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine?
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine has a molecular weight of 660.75 g/mol, XLogP of 13.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 142084157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).