4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline

C26H18F6N2 — CID 156690017

IUPAC4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)c(-c2cc(-c3ccccc3)c(N)cc2C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C26H18F6N2/c27-25(28,29)21-13-23(33)17(15-7-3-1-4-8-15)11-19(21)20-12-18(16-9-5-2-6-10-16)24(34)14-22(20)26(30,31)32/h1-14H,33-34H2
InChIKeyLIRFYIZNLAXIRR-UHFFFAOYSA-N
MW472.43 g/mol
LogP7.89
Rot. Bonds3

About 4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline

4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline (PubChem CID 156690017) has the molecular formula C26H18F6N2 and a molecular weight of 472.43 g/mol. Its IUPAC name is 4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline
PubChem CID156690017
Molecular FormulaC26H18F6N2
Molecular Weight472.43 g/mol
Exact Mass472.14
IUPAC Name4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)c(-c2cc(-c3ccccc3)c(N)cc2C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C26H18F6N2/c27-25(28,29)21-13-23(33)17(15-7-3-1-4-8-15)11-19(21)20-12-18(16-9-5-2-6-10-16)24(34)14-22(20)26(30,31)32/h1-14H,33-34H2
InChIKeyLIRFYIZNLAXIRR-UHFFFAOYSA-N
XLogP7.89
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.43
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-3-(trifluoromethyl)aniline
CID 16768764
1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene
CID 59609421
4-phenyl-3-(trifluoromethyl)benzenethiol
CID 22057738
3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine
CID 89005557
4-methyl-2-phenyl-1-(trifluoromethyl)benzene
CID 46315075
N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide
CID 87478935
4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 59863067
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
3-N,4,6-triphenylbenzene-1,3-diamine
CID 118930756
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
1-[4-phenyl-3-(trifluoromethyl)phenyl]ethanone
CID 118411799
2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid
CID 175158556

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline?
The IUPAC name of 4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline (CID 156690017) is 4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)c(-c2cc(-c3ccccc3)c(N)cc2C(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of 4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline?
The InChIKey is LIRFYIZNLAXIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F6N2/c27-25(28,29)21-13-23(33)17(15-7-3-1-4-8-15)11-19(21)20-12-18(16-9-5-2-6-10-16)24(34)14-22(20)26(30,31)32/h1-14H,33-34H2.
What are the key properties of 4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline?
4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline has a molecular weight of 472.43 g/mol, XLogP of 7.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 156690017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).