2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine

C45H77N9O5 — CID 90898953

IUPAC2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(N(c2nc(Oc3ccccc3)nc(N(C3CC(C)(C)N(O)C(C)(C)C3)C3CC(C)(C)N(O)C(C)(C)C3)n2)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C45H77N9O5/c1-38(2)22-30(23-39(3,4)51(38)55)49(31-24-40(5,6)52(56)41(7,8)25-31)35-46-36(48-37(47-35)59-34-20-18-17-19-21-34)50(32-26-42(9,10)53(57)43(11,12)27-32)33-28-44(13,14)54(58)45(15,16)29-33/h17-21,30-33,55-58H,22-29H2,1-16H3
InChIKeyCGVWHPPQHRZDIT-UHFFFAOYSA-N
MW824.17 g/mol
LogP8.92
Rot. Bonds8

About 2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine (PubChem CID 90898953) has the molecular formula C45H77N9O5 and a molecular weight of 824.17 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine
PubChem CID90898953
Molecular FormulaC45H77N9O5
Molecular Weight824.17 g/mol
Exact Mass823.60
IUPAC Name2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(N(c2nc(Oc3ccccc3)nc(N(C3CC(C)(C)N(O)C(C)(C)C3)C3CC(C)(C)N(O)C(C)(C)C3)n2)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C45H77N9O5/c1-38(2)22-30(23-39(3,4)51(38)55)49(31-24-40(5,6)52(56)41(7,8)25-31)35-46-36(48-37(47-35)59-34-20-18-17-19-21-34)50(32-26-42(9,10)53(57)43(11,12)27-32)33-28-44(13,14)54(58)45(15,16)29-33/h17-21,30-33,55-58H,22-29H2,1-16H3
InChIKeyCGVWHPPQHRZDIT-UHFFFAOYSA-N
XLogP8.92
TPSA148.26 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.17
LogP ≤ 58.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine (CID 90898953) is 2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine is CC1(C)CC(N(c2nc(Oc3ccccc3)nc(N(C3CC(C)(C)N(O)C(C)(C)C3)C3CC(C)(C)N(O)C(C)(C)C3)n2)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is CGVWHPPQHRZDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H77N9O5/c1-38(2)22-30(23-39(3,4)51(38)55)49(31-24-40(5,6)52(56)41(7,8)25-31)35-46-36(48-37(47-35)59-34-20-18-17-19-21-34)50(32-26-42(9,10)53(57)43(11,12)27-32)33-28-44(13,14)54(58)45(15,16)29-33/h17-21,30-33,55-58H,22-29H2,1-16H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 824.17 g/mol, XLogP of 8.92, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrakis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90898953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).