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

C56H74N4O5 — CID 135936958

IUPAC3-(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
SMILESCCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)nc(-c3cn(CC(CC)CCCC)c4ccc(-c5ccc(OC)cc5)cc34)n2)c(O)c1C
InChIInChI=1S/C56H74N4O5/c1-10-16-19-39(13-4)33-60-34-48(47-32-43(24-29-49(47)60)42-22-25-44(63-9)26-23-42)56-58-54(45-27-30-50(37(7)52(45)61)64-35-40(14-5)20-17-11-2)57-55(59-56)46-28-31-51(38(8)53(46)62)65-36-41(15-6)21-18-12-3/h22-32,34,39-41,61-62H,10-21,33,35-36H2,1-9H3
InChIKeySLYMBINOUFIUTQ-UHFFFAOYSA-N
MW883.23 g/mol
LogP14.94
Rot. Bonds25

About 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

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 (PubChem CID 135936958) has the molecular formula C56H74N4O5 and a molecular weight of 883.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID135936958
Molecular FormulaC56H74N4O5
Molecular Weight883.23 g/mol
Exact Mass882.57
IUPAC Name3-(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
SMILESCCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)nc(-c3cn(CC(CC)CCCC)c4ccc(-c5ccc(OC)cc5)cc34)n2)c(O)c1C
InChIInChI=1S/C56H74N4O5/c1-10-16-19-39(13-4)33-60-34-48(47-32-43(24-29-49(47)60)42-22-25-44(63-9)26-23-42)56-58-54(45-27-30-50(37(7)52(45)61)64-35-40(14-5)20-17-11-2)57-55(59-56)46-28-31-51(38(8)53(46)62)65-36-41(15-6)21-18-12-3/h22-32,34,39-41,61-62H,10-21,33,35-36H2,1-9H3
InChIKeySLYMBINOUFIUTQ-UHFFFAOYSA-N
XLogP14.94
TPSA111.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.23
LogP ≤ 514.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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
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
5-[(2S)-2-ethylhexoxy]-2-[4-[3-[(2S)-2-ethylhexoxy]-5-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 137066045
4-[4,6-bis[4-(2-ethylhexoxy)phenyl]-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 135563262
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
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
2-[4-(2-ethylhexoxy)-2-methylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58830701
3,5-bis[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]benzoic acid
CID 90067763
5-ethoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol
CID 164768338
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)nc(-c3cn(CC(CC)CCCC)c4ccc(-c5ccc(OC)cc5)cc34)n2)c(O)c1C.
What is the InChIKey of 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?
The InChIKey is SLYMBINOUFIUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H74N4O5/c1-10-16-19-39(13-4)33-60-34-48(47-32-43(24-29-49(47)60)42-22-25-44(63-9)26-23-42)56-58-54(45-27-30-50(37(7)52(45)61)64-35-40(14-5)20-17-11-2)57-55(59-56)46-28-31-51(38(8)53(46)62)65-36-41(15-6)21-18-12-3/h22-32,34,39-41,61-62H,10-21,33,35-36H2,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 883.23 g/mol, XLogP of 14.94, 25 rotatable bonds, 2 hydrogen bond donors, and 9 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-[1-(2-ethylhexyl)-5-(4-methoxyphenyl)indol-3-yl]-1,3,5-triazin-2-yl]-2-methylphenol is sourced from PubChem (CID 135936958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).