2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol

C26H16F6N2O2 — CID 137068909

IUPAC2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1/C=N\c1cccc2cccc(/N=C/c3cc(C(F)(F)F)ccc3O)c12
InChIInChI=1S/C26H16F6N2O2/c27-25(28,29)18-7-9-22(35)16(11-18)13-33-20-5-1-3-15-4-2-6-21(24(15)20)34-14-17-12-19(26(30,31)32)8-10-23(17)36/h1-14,35-36H/b33-13-,34-14+
InChIKeyDHLICZAEPKWSRC-HWQBGIBVSA-N
MW502.41 g/mol
LogP7.79
Rot. Bonds4

About 2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol

2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol (PubChem CID 137068909) has the molecular formula C26H16F6N2O2 and a molecular weight of 502.41 g/mol. Its IUPAC name is 2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol
PubChem CID137068909
Molecular FormulaC26H16F6N2O2
Molecular Weight502.41 g/mol
Exact Mass502.11
IUPAC Name2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1/C=N\c1cccc2cccc(/N=C/c3cc(C(F)(F)F)ccc3O)c12
InChIInChI=1S/C26H16F6N2O2/c27-25(28,29)18-7-9-22(35)16(11-18)13-33-20-5-1-3-15-4-2-6-21(24(15)20)34-14-17-12-19(26(30,31)32)8-10-23(17)36/h1-14,35-36H/b33-13-,34-14+
InChIKeyDHLICZAEPKWSRC-HWQBGIBVSA-N
XLogP7.79
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.41
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 162650883
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]phenol;diacetate
CID 158777509
2-[[2-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137119365
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 136814264
4-[(3-bromophenyl)diazenyl]-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3892840
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
CID 137032211
2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 137172088
2-(quinolin-8-yliminomethyl)benzene-1,4-diol
CID 136851567
2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137090771
2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]-4-nitrophenol
CID 1250484
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
4-(diethylamino)-2-(pyren-1-yliminomethyl)phenol
CID 162787925

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol?
The IUPAC name of 2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol (CID 137068909) is 2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol is Oc1ccc(C(F)(F)F)cc1/C=N\c1cccc2cccc(/N=C/c3cc(C(F)(F)F)ccc3O)c12.
What is the InChIKey of 2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol?
The InChIKey is DHLICZAEPKWSRC-HWQBGIBVSA-N. The full InChI is InChI=1S/C26H16F6N2O2/c27-25(28,29)18-7-9-22(35)16(11-18)13-33-20-5-1-3-15-4-2-6-21(24(15)20)34-14-17-12-19(26(30,31)32)8-10-23(17)36/h1-14,35-36H/b33-13-,34-14+.
What are the key properties of 2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol?
2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol has a molecular weight of 502.41 g/mol, XLogP of 7.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol is sourced from PubChem (CID 137068909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).