3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

C60H50N4O4 — CID 136810654

IUPAC3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESCC(C)(C)c1ccc(O)c(-c2cccc(-c3cccc(-c4cc5ccccc5c(-c5c(O)c(-c6cccc(-c7cccc(-c8cc(C(C)(C)C)ccc8O)n7)n6)cc6ccccc56)c4O)n3)n2)c1
InChIInChI=1S/C60H50N4O4/c1-59(2,3)37-27-29-53(65)41(33-37)45-19-11-23-49(61-45)51-25-13-21-47(63-51)43-31-35-15-7-9-17-39(35)55(57(43)67)56-40-18-10-8-16-36(40)32-44(58(56)68)48-22-14-26-52(64-48)50-24-12-20-46(62-50)42-34-38(60(4,5)6)28-30-54(42)66/h7-34,65-68H,1-6H3
InChIKeyHLUVOHQEPKALNY-UHFFFAOYSA-N
MW891.08 g/mol
LogP14.66
Rot. Bonds7

About 3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (PubChem CID 136810654) has the molecular formula C60H50N4O4 and a molecular weight of 891.08 g/mol. Its IUPAC name is 3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
PubChem CID136810654
Molecular FormulaC60H50N4O4
Molecular Weight891.08 g/mol
Exact Mass890.38
IUPAC Name3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESCC(C)(C)c1ccc(O)c(-c2cccc(-c3cccc(-c4cc5ccccc5c(-c5c(O)c(-c6cccc(-c7cccc(-c8cc(C(C)(C)C)ccc8O)n7)n6)cc6ccccc56)c4O)n3)n2)c1
InChIInChI=1S/C60H50N4O4/c1-59(2,3)37-27-29-53(65)41(33-37)45-19-11-23-49(61-45)51-25-13-21-47(63-51)43-31-35-15-7-9-17-39(35)55(57(43)67)56-40-18-10-8-16-36(40)32-44(58(56)68)48-22-14-26-52(64-48)50-24-12-20-46(62-50)42-34-38(60(4,5)6)28-30-54(42)66/h7-34,65-68H,1-6H3
InChIKeyHLUVOHQEPKALNY-UHFFFAOYSA-N
XLogP14.66
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.08
LogP ≤ 514.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol with MolForge

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Launch Full Analysis

Related Compounds

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
1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol
CID 177474104
3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 11342498
3-[6-[6-(3-hydroxynaphthalen-2-yl)-2-pyridinyl]-2-pyridinyl]naphthalen-2-ol;platinum
CID 135975700
4-tert-butyl-2-[9-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-1,10-phenanthrolin-2-yl]-6-(5-tert-butyl-2-hydroxyphenyl)phenol
CID 135961667
2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol
CID 145474640
2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol
CID 136790275
2-[6-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenol;manganese(3+);trichloride
CID 160934491
4-tert-butyl-2-naphthalen-2-ylphenol
CID 118868504
4-tert-butyl-2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyrazin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-6-pyrazin-2-ylphenol
CID 140549433
3-(4-tert-butyl-2-hydroxyphenyl)-1-[3-(4-tert-butyl-2-hydroxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;1-[2-hydroxy-3-(2-hydroxy-4-methoxyphenyl)naphthalen-1-yl]-3-(2-hydroxy-4-methoxyphenyl)naphthalen-2-ol;1-[2-hydroxy-3-(2-hydroxy-4-methylphenyl)naphthalen-1-yl]-3-(2-hydroxy-4-methylphenyl)naphthalen-2-ol;1-[2-hydroxy-3-(2-hydroxy-3-phenylphenyl)naphthalen-1-yl]-3-(2-hydroxy-3-phenylphenyl)naphthalen-2-ol
CID 162261539

Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (CID 136810654) is 3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is CC(C)(C)c1ccc(O)c(-c2cccc(-c3cccc(-c4cc5ccccc5c(-c5c(O)c(-c6cccc(-c7cccc(-c8cc(C(C)(C)C)ccc8O)n7)n6)cc6ccccc56)c4O)n3)n2)c1.
What is the InChIKey of 3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The InChIKey is HLUVOHQEPKALNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N4O4/c1-59(2,3)37-27-29-53(65)41(33-37)45-19-11-23-49(61-45)51-25-13-21-47(63-51)43-31-35-15-7-9-17-39(35)55(57(43)67)56-40-18-10-8-16-36(40)32-44(58(56)68)48-22-14-26-52(64-48)50-24-12-20-46(62-50)42-34-38(60(4,5)6)28-30-54(42)66/h7-34,65-68H,1-6H3.
What are the key properties of 3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol has a molecular weight of 891.08 g/mol, XLogP of 14.66, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 136810654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).