4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol

C60H76F3NO2 — CID 155058202

IUPAC4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol
SMILESC=CCC(CC)CCc1cc(C(C)(C)C)cc(-c2ccc(C(C)C)cc2-c2cc(C(F)(F)F)cc(-c3cc(C(C)C)ccc3-c3cc(C(C)(C)C)cc(CCC(CC)CC=C)c3O)n2)c1O
InChIInChI=1S/C60H76F3NO2/c1-15-19-39(17-3)21-23-43-29-45(58(9,10)11)33-52(56(43)65)48-27-25-41(37(5)6)31-50(48)54-35-47(60(61,62)63)36-55(64-54)51-32-42(38(7)8)26-28-49(51)53-34-46(59(12,13)14)30-44(57(53)66)24-22-40(18-4)20-16-2/h15-16,25-40,65-66H,1-2,17-24H2,3-14H3
InChIKeyLZJXRTPSPXKATL-UHFFFAOYSA-N
MW900.27 g/mol
LogP18.09
Rot. Bonds18

About 4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol

4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol (PubChem CID 155058202) has the molecular formula C60H76F3NO2 and a molecular weight of 900.27 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol
PubChem CID155058202
Molecular FormulaC60H76F3NO2
Molecular Weight900.27 g/mol
Exact Mass899.58
IUPAC Name4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol
SMILESC=CCC(CC)CCc1cc(C(C)(C)C)cc(-c2ccc(C(C)C)cc2-c2cc(C(F)(F)F)cc(-c3cc(C(C)C)ccc3-c3cc(C(C)(C)C)cc(CCC(CC)CC=C)c3O)n2)c1O
InChIInChI=1S/C60H76F3NO2/c1-15-19-39(17-3)21-23-43-29-45(58(9,10)11)33-52(56(43)65)48-27-25-41(37(5)6)31-50(48)54-35-47(60(61,62)63)36-55(64-54)51-32-42(38(7)8)26-28-49(51)53-34-46(59(12,13)14)30-44(57(53)66)24-22-40(18-4)20-16-2/h15-16,25-40,65-66H,1-2,17-24H2,3-14H3
InChIKeyLZJXRTPSPXKATL-UHFFFAOYSA-N
XLogP18.09
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.27
LogP ≤ 518.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol?
The IUPAC name of 4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol (CID 155058202) is 4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol.
What is the SMILES notation for 4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol?
The canonical SMILES for 4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol is C=CCC(CC)CCc1cc(C(C)(C)C)cc(-c2ccc(C(C)C)cc2-c2cc(C(F)(F)F)cc(-c3cc(C(C)C)ccc3-c3cc(C(C)(C)C)cc(CCC(CC)CC=C)c3O)n2)c1O.
What is the InChIKey of 4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol?
The InChIKey is LZJXRTPSPXKATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H76F3NO2/c1-15-19-39(17-3)21-23-43-29-45(58(9,10)11)33-52(56(43)65)48-27-25-41(37(5)6)31-50(48)54-35-47(60(61,62)63)36-55(64-54)51-32-42(38(7)8)26-28-49(51)53-34-46(59(12,13)14)30-44(57(53)66)24-22-40(18-4)20-16-2/h15-16,25-40,65-66H,1-2,17-24H2,3-14H3.
What are the key properties of 4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol?
4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol has a molecular weight of 900.27 g/mol, XLogP of 18.09, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-[6-[2-[5-tert-butyl-3-(3-ethylhex-5-enyl)-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-6-(3-ethylhex-5-enyl)phenol is sourced from PubChem (CID 155058202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).