3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol

C40H24F6O2 — CID 122228290

IUPAC3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol
SMILESOc1ccc2cc(C(F)(F)F)ccc2c1-c1c(O)c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C40H24F6O2/c41-39(42,43)30-12-14-32-25(20-30)11-16-35(47)36(32)37-33-15-13-31(40(44,45)46)21-29(33)22-34(38(37)48)28-18-26(23-7-3-1-4-8-23)17-27(19-28)24-9-5-2-6-10-24/h1-22,47-48H
InChIKeyXGNCDXJXFKIDFD-UHFFFAOYSA-N
MW650.62 g/mol
LogP12.11
Rot. Bonds4

About 3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol

3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol (PubChem CID 122228290) has the molecular formula C40H24F6O2 and a molecular weight of 650.62 g/mol. Its IUPAC name is 3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol
PubChem CID122228290
Molecular FormulaC40H24F6O2
Molecular Weight650.62 g/mol
Exact Mass650.17
IUPAC Name3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol
SMILESOc1ccc2cc(C(F)(F)F)ccc2c1-c1c(O)c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C40H24F6O2/c41-39(42,43)30-12-14-32-25(20-30)11-16-35(47)36(32)37-33-15-13-31(40(44,45)46)21-29(33)22-34(38(37)48)28-18-26(23-7-3-1-4-8-23)17-27(19-28)24-9-5-2-6-10-24/h1-22,47-48H
InChIKeyXGNCDXJXFKIDFD-UHFFFAOYSA-N
XLogP12.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.62
LogP ≤ 512.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol;zirconium(2+);dicyanide
CID 11297071
1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid
CID 174991429
3,10-bis(trifluoromethyl)picene
CID 88902241
1-(2-hydroxynaphthalen-1-yl)-3-methyl-6-phenylnaphthalen-2-ol
CID 58219531
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
CID 58639284
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
3-(5-tert-butyl-2-hydroxyphenyl)-1-[3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 71141865
3-[6-[6-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2-pyridinyl]-2-pyridinyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 135524809
7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene
CID 170391397
1-[2-(butylsulfanylmethyl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)naphthalen-2-ol
CID 177434451
1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol?
The IUPAC name of 3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol (CID 122228290) is 3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol.
What is the SMILES notation for 3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol?
The canonical SMILES for 3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol is Oc1ccc2cc(C(F)(F)F)ccc2c1-c1c(O)c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol?
The InChIKey is XGNCDXJXFKIDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24F6O2/c41-39(42,43)30-12-14-32-25(20-30)11-16-35(47)36(32)37-33-15-13-31(40(44,45)46)21-29(33)22-34(38(37)48)28-18-26(23-7-3-1-4-8-23)17-27(19-28)24-9-5-2-6-10-24/h1-22,47-48H.
What are the key properties of 3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol?
3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol has a molecular weight of 650.62 g/mol, XLogP of 12.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diphenylphenyl)-1-[2-hydroxy-6-(trifluoromethyl)naphthalen-1-yl]-6-(trifluoromethyl)naphthalen-2-ol is sourced from PubChem (CID 122228290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).