2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine

C68H116N10O8S2 — CID 19832525

IUPAC2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
SMILESCC1(C)CC(Oc2nc(OC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)nc(SCCSc3nc(OC4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)nc(OC4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)n3)n2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C68H116N10O8S2/c1-61(2)39-51(40-62(3,4)75(61)83-47-29-21-17-22-30-47)79-55-69-56(80-52-41-63(5,6)76(64(7,8)42-52)84-48-31-23-18-24-32-48)72-59(71-55)87-37-38-88-60-73-57(81-53-43-65(9,10)77(66(11,12)44-53)85-49-33-25-19-26-34-49)70-58(74-60)82-54-45-67(13,14)78(68(15,16)46-54)86-50-35-27-20-28-36-50/h47-54H,17-46H2,1-16H3
InChIKeyJEZIRLIQYUADEJ-UHFFFAOYSA-N
MW1265.87 g/mol
LogP15.60
Rot. Bonds21

About 2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine

2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine (PubChem CID 19832525) has the molecular formula C68H116N10O8S2 and a molecular weight of 1265.87 g/mol. Its IUPAC name is 2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
PubChem CID19832525
Molecular FormulaC68H116N10O8S2
Molecular Weight1265.87 g/mol
Exact Mass1264.84
IUPAC Name2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
SMILESCC1(C)CC(Oc2nc(OC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)nc(SCCSc3nc(OC4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)nc(OC4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)n3)n2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C68H116N10O8S2/c1-61(2)39-51(40-62(3,4)75(61)83-47-29-21-17-22-30-47)79-55-69-56(80-52-41-63(5,6)76(64(7,8)42-52)84-48-31-23-18-24-32-48)72-59(71-55)87-37-38-88-60-73-57(81-53-43-65(9,10)77(66(11,12)44-53)85-49-33-25-19-26-34-49)70-58(74-60)82-54-45-67(13,14)78(68(15,16)46-54)86-50-35-27-20-28-36-50/h47-54H,17-46H2,1-16H3
InChIKeyJEZIRLIQYUADEJ-UHFFFAOYSA-N
XLogP15.60
TPSA164.14 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001265.87
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
The IUPAC name of 2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine (CID 19832525) is 2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine.
What is the SMILES notation for 2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
The canonical SMILES for 2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine is CC1(C)CC(Oc2nc(OC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)nc(SCCSc3nc(OC4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)nc(OC4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)n3)n2)CC(C)(C)N1OC1CCCCC1.
What is the InChIKey of 2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
The InChIKey is JEZIRLIQYUADEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H116N10O8S2/c1-61(2)39-51(40-62(3,4)75(61)83-47-29-21-17-22-30-47)79-55-69-56(80-52-41-63(5,6)76(64(7,8)42-52)84-48-31-23-18-24-32-48)72-59(71-55)87-37-38-88-60-73-57(81-53-43-65(9,10)77(66(11,12)44-53)85-49-33-25-19-26-34-49)70-58(74-60)82-54-45-67(13,14)78(68(15,16)46-54)86-50-35-27-20-28-36-50/h47-54H,17-46H2,1-16H3.
What are the key properties of 2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine has a molecular weight of 1265.87 g/mol, XLogP of 15.60, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]sulfanyl]ethylsulfanyl]-4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine is sourced from PubChem (CID 19832525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).