4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine

C36H19F12N — CID 162717087

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine
SMILESFC(F)(F)c1cc(-c2ccc(Nc3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccccc34)c3ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C36H19F12N/c37-33(38,39)21-13-19(14-22(17-21)34(40,41)42)25-9-11-31(29-7-3-1-5-27(25)29)49-32-12-10-26(28-6-2-4-8-30(28)32)20-15-23(35(43,44)45)18-24(16-20)36(46,47)48/h1-18,49H
InChIKeySIIAOHSSIFHTCO-UHFFFAOYSA-N
MW693.53 g/mol
LogP13.15
Rot. Bonds4

About 4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine

4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine (PubChem CID 162717087) has the molecular formula C36H19F12N and a molecular weight of 693.53 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine
PubChem CID162717087
Molecular FormulaC36H19F12N
Molecular Weight693.53 g/mol
Exact Mass693.13
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine
SMILESFC(F)(F)c1cc(-c2ccc(Nc3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccccc34)c3ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C36H19F12N/c37-33(38,39)21-13-19(14-22(17-21)34(40,41)42)25-9-11-31(29-7-3-1-5-27(25)29)49-32-12-10-26(28-6-2-4-8-30(28)32)20-15-23(35(43,44)45)18-24(16-20)36(46,47)48/h1-18,49H
InChIKeySIIAOHSSIFHTCO-UHFFFAOYSA-N
XLogP13.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.53
LogP ≤ 513.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine (CID 162717087) is 4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine is FC(F)(F)c1cc(-c2ccc(Nc3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccccc34)c3ccccc23)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine?
The InChIKey is SIIAOHSSIFHTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19F12N/c37-33(38,39)21-13-19(14-22(17-21)34(40,41)42)25-9-11-31(29-7-3-1-5-27(25)29)49-32-12-10-26(28-6-2-4-8-30(28)32)20-15-23(35(43,44)45)18-24(16-20)36(46,47)48/h1-18,49H.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine?
4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine has a molecular weight of 693.53 g/mol, XLogP of 13.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine is sourced from PubChem (CID 162717087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).