2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine

C32H19F6N3 — CID 10698086

IUPAC2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(Nc3cc(-c4ccccc4)nc4cc(C(F)(F)F)ccc34)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C32H19F6N3/c33-31(34,35)21-11-13-23-27(15-21)39-25(19-7-3-1-4-8-19)17-29(23)41-30-18-26(20-9-5-2-6-10-20)40-28-16-22(32(36,37)38)12-14-24(28)30/h1-18H,(H,39,40,41)
InChIKeyLASZVNWTAKEOMH-UHFFFAOYSA-N
MW559.51 g/mol
LogP9.90
Rot. Bonds4

About 2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine

2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 10698086) has the molecular formula C32H19F6N3 and a molecular weight of 559.51 g/mol. Its IUPAC name is 2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
PubChem CID10698086
Molecular FormulaC32H19F6N3
Molecular Weight559.51 g/mol
Exact Mass559.15
IUPAC Name2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(Nc3cc(-c4ccccc4)nc4cc(C(F)(F)F)ccc34)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C32H19F6N3/c33-31(34,35)21-11-13-23-27(15-21)39-25(19-7-3-1-4-8-19)17-29(23)41-30-18-26(20-9-5-2-6-10-20)40-28-16-22(32(36,37)38)12-14-24(28)30/h1-18H,(H,39,40,41)
InChIKeyLASZVNWTAKEOMH-UHFFFAOYSA-N
XLogP9.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.51
LogP ≤ 59.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine (CID 10698086) is 2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1ccc2c(Nc3cc(-c4ccccc4)nc4cc(C(F)(F)F)ccc34)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is LASZVNWTAKEOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19F6N3/c33-31(34,35)21-11-13-23-27(15-21)39-25(19-7-3-1-4-8-19)17-29(23)41-30-18-26(20-9-5-2-6-10-20)40-28-16-22(32(36,37)38)12-14-24(28)30/h1-18H,(H,39,40,41).
What are the key properties of 2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine?
2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 559.51 g/mol, XLogP of 9.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-phenyl-7-(trifluoromethyl)quinolin-4-yl]-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 10698086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).