4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine

C59H88Cl2N10O4 — CID 54371226

IUPAC4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine
SMILESCC(C)(c1ccc(Oc2nc(Cl)nc(NCCCCC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)cc1)c1ccc(Oc2nc(Cl)nc(NCCCCC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)cc1
InChIInChI=1S/C59H88Cl2N10O4/c1-55(2)37-41(38-56(3,4)70(55)74-47-23-13-11-14-24-47)21-17-19-35-62-51-64-49(60)66-53(68-51)72-45-31-27-43(28-32-45)59(9,10)44-29-33-46(34-30-44)73-54-67-50(61)65-52(69-54)63-36-20-18-22-42-39-57(5,6)71(58(7,8)40-42)75-48-25-15-12-16-26-48/h27-34,41-42,47-48H,11-26,35-40H2,1-10H3,(H,62,64,66,68)(H,63,65,67,69)
InChIKeyUTIWJNFDLRJYSM-UHFFFAOYSA-N
MW1072.32 g/mol
LogP15.51
Rot. Bonds22

About 4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine

4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine (PubChem CID 54371226) has the molecular formula C59H88Cl2N10O4 and a molecular weight of 1072.32 g/mol. Its IUPAC name is 4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine
PubChem CID54371226
Molecular FormulaC59H88Cl2N10O4
Molecular Weight1072.32 g/mol
Exact Mass1070.64
IUPAC Name4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine
SMILESCC(C)(c1ccc(Oc2nc(Cl)nc(NCCCCC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)cc1)c1ccc(Oc2nc(Cl)nc(NCCCCC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)cc1
InChIInChI=1S/C59H88Cl2N10O4/c1-55(2)37-41(38-56(3,4)70(55)74-47-23-13-11-14-24-47)21-17-19-35-62-51-64-49(60)66-53(68-51)72-45-31-27-43(28-32-45)59(9,10)44-29-33-46(34-30-44)73-54-67-50(61)65-52(69-54)63-36-20-18-22-42-39-57(5,6)71(58(7,8)40-42)75-48-25-15-12-16-26-48/h27-34,41-42,47-48H,11-26,35-40H2,1-10H3,(H,62,64,66,68)(H,63,65,67,69)
InChIKeyUTIWJNFDLRJYSM-UHFFFAOYSA-N
XLogP15.51
TPSA144.80 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001072.32
LogP ≤ 515.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine (CID 54371226) is 4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine is CC(C)(c1ccc(Oc2nc(Cl)nc(NCCCCC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)cc1)c1ccc(Oc2nc(Cl)nc(NCCCCC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)cc1.
What is the InChIKey of 4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine?
The InChIKey is UTIWJNFDLRJYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H88Cl2N10O4/c1-55(2)37-41(38-56(3,4)70(55)74-47-23-13-11-14-24-47)21-17-19-35-62-51-64-49(60)66-53(68-51)72-45-31-27-43(28-32-45)59(9,10)44-29-33-46(34-30-44)73-54-67-50(61)65-52(69-54)63-36-20-18-22-42-39-57(5,6)71(58(7,8)40-42)75-48-25-15-12-16-26-48/h27-34,41-42,47-48H,11-26,35-40H2,1-10H3,(H,62,64,66,68)(H,63,65,67,69).
What are the key properties of 4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine?
4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine has a molecular weight of 1072.32 g/mol, XLogP of 15.51, 22 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 54371226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).