2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C43H48F6N6O2 — CID 86585535

IUPAC2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccc(C(F)(F)F)cc4n3)c2O)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C43H48F6N6O2/c1-38(2,3)22-40(7,8)28-16-24(36(56)34(20-28)54-50-30-13-11-26(42(44,45)46)18-32(30)52-54)15-25-17-29(41(9,10)23-39(4,5)6)21-35(37(25)57)55-51-31-14-12-27(43(47,48)49)19-33(31)53-55/h11-14,16-21,56-57H,15,22-23H2,1-10H3
InChIKeyVTHYDIIANHXBMI-UHFFFAOYSA-N
MW794.89 g/mol
LogP11.62
Rot. Bonds8

About 2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 86585535) has the molecular formula C43H48F6N6O2 and a molecular weight of 794.89 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID86585535
Molecular FormulaC43H48F6N6O2
Molecular Weight794.89 g/mol
Exact Mass794.37
IUPAC Name2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccc(C(F)(F)F)cc4n3)c2O)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C43H48F6N6O2/c1-38(2,3)22-40(7,8)28-16-24(36(56)34(20-28)54-50-30-13-11-26(42(44,45)46)18-32(30)52-54)15-25-17-29(41(9,10)23-39(4,5)6)21-35(37(25)57)55-51-31-14-12-27(43(47,48)49)19-33(31)53-55/h11-14,16-21,56-57H,15,22-23H2,1-10H3
InChIKeyVTHYDIIANHXBMI-UHFFFAOYSA-N
XLogP11.62
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.89
LogP ≤ 511.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[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-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 86585535) is 2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccc(C(F)(F)F)cc4n3)c2O)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1.
What is the InChIKey of 2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is VTHYDIIANHXBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48F6N6O2/c1-38(2,3)22-40(7,8)28-16-24(36(56)34(20-28)54-50-30-13-11-26(42(44,45)46)18-32(30)52-54)15-25-17-29(41(9,10)23-39(4,5)6)21-35(37(25)57)55-51-31-14-12-27(43(47,48)49)19-33(31)53-55/h11-14,16-21,56-57H,15,22-23H2,1-10H3.
What are the key properties of 2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 794.89 g/mol, XLogP of 11.62, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 86585535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).