2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C50H64F6N6O2 — CID 161311745

IUPAC2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)CC(C)(C)C)c1.CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C29H40F3N3O.C21H24F3N3O/c1-25(2,3)16-27(7,8)19-13-20(28(9,10)17-26(4,5)6)24(36)23(15-19)35-33-21-12-11-18(29(30,31)32)14-22(21)34-35;1-19(2,3)12-20(4,5)13-7-9-18(28)17(11-13)27-25-15-8-6-14(21(22,23)24)10-16(15)26-27/h11-15,36H,16-17H2,1-10H3;6-11,28H,12H2,1-5H3
InChIKeyVIZDOLQJDSMTMZ-UHFFFAOYSA-N
MW895.09 g/mol
LogP14.43
Rot. Bonds8

About 2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 161311745) has the molecular formula C50H64F6N6O2 and a molecular weight of 895.09 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID161311745
Molecular FormulaC50H64F6N6O2
Molecular Weight895.09 g/mol
Exact Mass894.50
IUPAC Name2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)CC(C)(C)C)c1.CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C29H40F3N3O.C21H24F3N3O/c1-25(2,3)16-27(7,8)19-13-20(28(9,10)17-26(4,5)6)24(36)23(15-19)35-33-21-12-11-18(29(30,31)32)14-22(21)34-35;1-19(2,3)12-20(4,5)13-7-9-18(28)17(11-13)27-25-15-8-6-14(21(22,23)24)10-16(15)26-27/h11-15,36H,16-17H2,1-10H3;6-11,28H,12H2,1-5H3
InChIKeyVIZDOLQJDSMTMZ-UHFFFAOYSA-N
XLogP14.43
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.09
LogP ≤ 514.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 161311745) is 2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)CC(C)(C)C)c1.CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1.
What is the InChIKey of 2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is VIZDOLQJDSMTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40F3N3O.C21H24F3N3O/c1-25(2,3)16-27(7,8)19-13-20(28(9,10)17-26(4,5)6)24(36)23(15-19)35-33-21-12-11-18(29(30,31)32)14-22(21)34-35;1-19(2,3)12-20(4,5)13-7-9-18(28)17(11-13)27-25-15-8-6-14(21(22,23)24)10-16(15)26-27/h11-15,36H,16-17H2,1-10H3;6-11,28H,12H2,1-5H3.
What are the key properties of 2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 895.09 g/mol, XLogP of 14.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 161311745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).