N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol

C37H49Br4Cl2N5O3 — CID 157359478

IUPACN-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCCCN(c1nc(Cl)nc(Cl)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C22H37Cl2N5O.C15H12Br4O2/c1-6-7-13-28(20-26-18(23)25-19(24)27-20)16-14-21(2,3)29(22(4,5)15-16)30-17-11-9-8-10-12-17;1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h16-17H,6-15H2,1-5H3;3-6,20-21H,1-2H3
InChIKeyBILSHANTXPPESS-UHFFFAOYSA-N
MW1002.35 g/mol
LogP12.54
Rot. Bonds9

About N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol

N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 157359478) has the molecular formula C37H49Br4Cl2N5O3 and a molecular weight of 1002.35 g/mol. Its IUPAC name is N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound NameN-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID157359478
Molecular FormulaC37H49Br4Cl2N5O3
Molecular Weight1002.35 g/mol
Exact Mass996.99
IUPAC NameN-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCCCN(c1nc(Cl)nc(Cl)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C22H37Cl2N5O.C15H12Br4O2/c1-6-7-13-28(20-26-18(23)25-19(24)27-20)16-14-21(2,3)29(22(4,5)15-16)30-17-11-9-8-10-12-17;1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h16-17H,6-15H2,1-5H3;3-6,20-21H,1-2H3
InChIKeyBILSHANTXPPESS-UHFFFAOYSA-N
XLogP12.54
TPSA94.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.35
LogP ≤ 512.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol (CID 157359478) is N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCCCN(c1nc(Cl)nc(Cl)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is BILSHANTXPPESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37Cl2N5O.C15H12Br4O2/c1-6-7-13-28(20-26-18(23)25-19(24)27-20)16-14-21(2,3)29(22(4,5)15-16)30-17-11-9-8-10-12-17;1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h16-17H,6-15H2,1-5H3;3-6,20-21H,1-2H3.
What are the key properties of N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol?
N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 1002.35 g/mol, XLogP of 12.54, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,6-dichloro-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 157359478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).