4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline

C27H18F6N2 — CID 141324145

IUPAC4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccc3c(c2-c2ccc(N)cc2C(F)(F)F)Cc2ccccc2-3)c(C(F)(F)F)c1
InChIInChI=1S/C27H18F6N2/c28-26(29,30)23-12-15(34)5-7-19(23)20-10-9-18-17-4-2-1-3-14(17)11-22(18)25(20)21-8-6-16(35)13-24(21)27(31,32)33/h1-10,12-13H,11,34-35H2
InChIKeyTURHLTUFIVLAQU-UHFFFAOYSA-N
MW484.44 g/mol
LogP7.79
Rot. Bonds2

About 4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline

4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline (PubChem CID 141324145) has the molecular formula C27H18F6N2 and a molecular weight of 484.44 g/mol. Its IUPAC name is 4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline
PubChem CID141324145
Molecular FormulaC27H18F6N2
Molecular Weight484.44 g/mol
Exact Mass484.14
IUPAC Name4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccc3c(c2-c2ccc(N)cc2C(F)(F)F)Cc2ccccc2-3)c(C(F)(F)F)c1
InChIInChI=1S/C27H18F6N2/c28-26(29,30)23-12-15(34)5-7-19(23)20-10-9-18-17-4-2-1-3-14(17)11-22(18)25(20)21-8-6-16(35)13-24(21)27(31,32)33/h1-10,12-13H,11,34-35H2
InChIKeyTURHLTUFIVLAQU-UHFFFAOYSA-N
XLogP7.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline (CID 141324145) is 4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline is Nc1ccc(-c2ccc3c(c2-c2ccc(N)cc2C(F)(F)F)Cc2ccccc2-3)c(C(F)(F)F)c1.
What is the InChIKey of 4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline?
The InChIKey is TURHLTUFIVLAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F6N2/c28-26(29,30)23-12-15(34)5-7-19(23)20-10-9-18-17-4-2-1-3-14(17)11-22(18)25(20)21-8-6-16(35)13-24(21)27(31,32)33/h1-10,12-13H,11,34-35H2.
What are the key properties of 4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline?
4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline has a molecular weight of 484.44 g/mol, XLogP of 7.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 141324145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).