3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol

C52H73N3O4 — CID 136654717

IUPAC3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol
SMILESCCCCC(CC)COc1ccc(-c2nc(C3=C(C)CC(CC(CC)CCCC)c4ccccc43)nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)n2)c(O)c1C
InChIInChI=1S/C52H73N3O4/c1-10-16-21-37(13-4)31-40-30-34(7)47(42-25-20-19-24-41(40)42)52-54-50(43-26-28-45(35(8)48(43)56)58-32-38(14-5)22-17-11-2)53-51(55-52)44-27-29-46(36(9)49(44)57)59-33-39(15-6)23-18-12-3/h19-20,24-29,37-40,56-57H,10-18,21-23,30-33H2,1-9H3
InChIKeyHXMORVNARVJQTC-UHFFFAOYSA-N
MW804.17 g/mol
LogP14.34
Rot. Bonds23

About 3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol

3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol (PubChem CID 136654717) has the molecular formula C52H73N3O4 and a molecular weight of 804.17 g/mol. Its IUPAC name is 3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol.

Molecular Properties

Compound Name3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol
PubChem CID136654717
Molecular FormulaC52H73N3O4
Molecular Weight804.17 g/mol
Exact Mass803.56
IUPAC Name3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol
SMILESCCCCC(CC)COc1ccc(-c2nc(C3=C(C)CC(CC(CC)CCCC)c4ccccc43)nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)n2)c(O)c1C
InChIInChI=1S/C52H73N3O4/c1-10-16-21-37(13-4)31-40-30-34(7)47(42-25-20-19-24-41(40)42)52-54-50(43-26-28-45(35(8)48(43)56)58-32-38(14-5)22-17-11-2)53-51(55-52)44-27-29-46(36(9)49(44)57)59-33-39(15-6)23-18-12-3/h19-20,24-29,37-40,56-57H,10-18,21-23,30-33H2,1-9H3
InChIKeyHXMORVNARVJQTC-UHFFFAOYSA-N
XLogP14.34
TPSA97.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.17
LogP ≤ 514.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]-2-methylphenol
CID 135936960
6-[4-(1-benzylpyrrol-2-yl)-6-[2,4-bis(2-ethylhexoxy)-3-methylphenyl]-1,3,5-triazin-2-yl]-3-(2-ethylhexoxy)-2-methylphenol
CID 135936976
6-[4-(1-benzylpyrrol-2-yl)-6-[4-(2-hexyldecoxy)-2-hydroxy-3-methylphenyl]-1,3,5-triazin-2-yl]-3-(2-hexyldecoxy)-2-methylphenol
CID 135936915
3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[1-(2-ethylhexyl)-5-(4-methoxyphenyl)indol-3-yl]-1,3,5-triazin-2-yl]-2-methylphenol
CID 135936958
2-[4,6-bis(4-hexoxynaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)phenol;2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-hexoxyphenol
CID 159852264
3,4-bis(2-ethylhexoxy)-2-[4-(2-hydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 175688777
5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-[4-(2-ethylhexoxy)phenyl]-1,3,5-triazin-2-yl]phenol
CID 137127599
4-[4-anthracen-9-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 164768801
5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455916
2-[4-(2-ethylhexoxy)-2-methylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58830701
5,14,23,32-tetrakis[2,6-bis(2-ethylhexoxy)phenyl]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22(27),23,25,28,30(37),31,33,35-nonadecaene
CID 177472285
methyl 2-[4-[4,6-bis(4-hexoxy-2-hydroxy-3-methylphenyl)-1,3,5-triazin-2-yl]-3-hydroxy-2-methylphenoxy]propanoate
CID 169156363

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol?
The IUPAC name of 3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol (CID 136654717) is 3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol.
What is the SMILES notation for 3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol?
The canonical SMILES for 3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol is CCCCC(CC)COc1ccc(-c2nc(C3=C(C)CC(CC(CC)CCCC)c4ccccc43)nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)n2)c(O)c1C.
What is the InChIKey of 3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol?
The InChIKey is HXMORVNARVJQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H73N3O4/c1-10-16-21-37(13-4)31-40-30-34(7)47(42-25-20-19-24-41(40)42)52-54-50(43-26-28-45(35(8)48(43)56)58-32-38(14-5)22-17-11-2)53-51(55-52)44-27-29-46(36(9)49(44)57)59-33-39(15-6)23-18-12-3/h19-20,24-29,37-40,56-57H,10-18,21-23,30-33H2,1-9H3.
What are the key properties of 3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol?
3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol has a molecular weight of 804.17 g/mol, XLogP of 14.34, 23 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxy)-6-[4-[4-(2-ethylhexoxy)-2-hydroxy-3-methylphenyl]-6-[4-(2-ethylhexyl)-2-methyl-3,4-dihydronaphthalen-1-yl]-1,3,5-triazin-2-yl]-2-methylphenol is sourced from PubChem (CID 136654717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).