N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc

C64H42F12N2O2Zn — CID 11982281

IUPACN-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc
SMILESC(=N/[C@@H](c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1)\c1ccccc1.Oc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc12.[Zn]
InChIInChI=1S/C36H18F12O2.C28H24N2.Zn/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48;1-5-13-23(14-6-1)21-29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30-22-24-15-7-2-8-16-24;/h1-16,49-50H;1-22,27-28H;/b;29-21+,30-22+;/t;27-,28-;/m.0./s1
InChIKeyFCANYKKCDJBHRD-XFMCLNCSSA-N
MW1164.42 g/mol
LogP19.19
Rot. Bonds10

About N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc

N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc (PubChem CID 11982281) has the molecular formula C64H42F12N2O2Zn and a molecular weight of 1164.42 g/mol. Its IUPAC name is N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc.

Molecular Properties

Compound NameN-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc
PubChem CID11982281
Molecular FormulaC64H42F12N2O2Zn
Molecular Weight1164.42 g/mol
Exact Mass1162.23
IUPAC NameN-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc
SMILESC(=N/[C@@H](c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1)\c1ccccc1.Oc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc12.[Zn]
InChIInChI=1S/C36H18F12O2.C28H24N2.Zn/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48;1-5-13-23(14-6-1)21-29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30-22-24-15-7-2-8-16-24;/h1-16,49-50H;1-22,27-28H;/b;29-21+,30-22+;/t;27-,28-;/m.0./s1
InChIKeyFCANYKKCDJBHRD-XFMCLNCSSA-N
XLogP19.19
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001164.42
LogP ≤ 519.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc?
The IUPAC name of N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc (CID 11982281) is N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc.
What is the SMILES notation for N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc?
The canonical SMILES for N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc is C(=N/[C@@H](c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1)\c1ccccc1.Oc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc12.[Zn].
What is the InChIKey of N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc?
The InChIKey is FCANYKKCDJBHRD-XFMCLNCSSA-N. The full InChI is InChI=1S/C36H18F12O2.C28H24N2.Zn/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48;1-5-13-23(14-6-1)21-29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30-22-24-15-7-2-8-16-24;/h1-16,49-50H;1-22,27-28H;/b;29-21+,30-22+;/t;27-,28-;/m.0./s1.
What are the key properties of N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc?
N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc has a molecular weight of 1164.42 g/mol, XLogP of 19.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc is sourced from PubChem (CID 11982281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).