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

C52H52F6N6O2 — CID 87867348

IUPAC2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)C)c1.CC(C)(c1ccccc1)c1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C31H28F3N3O.C21H24F3N3O/c1-29(2,20-11-7-5-8-12-20)23-17-24(30(3,4)21-13-9-6-10-14-21)28(38)27(19-23)37-35-25-16-15-22(31(32,33)34)18-26(25)36-37;1-19(2,3)13-9-14(20(4,5)6)18(28)17(11-13)27-25-15-8-7-12(21(22,23)24)10-16(15)26-27/h5-19,38H,1-4H3;7-11,28H,1-6H3
InChIKeyWTFZGFTYRLLQEL-UHFFFAOYSA-N
MW907.02 g/mol
LogP13.54
Rot. Bonds6

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

2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (PubChem CID 87867348) has the molecular formula C52H52F6N6O2 and a molecular weight of 907.02 g/mol. Its IUPAC name is 2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
PubChem CID87867348
Molecular FormulaC52H52F6N6O2
Molecular Weight907.02 g/mol
Exact Mass906.41
IUPAC Name2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)C)c1.CC(C)(c1ccccc1)c1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C31H28F3N3O.C21H24F3N3O/c1-29(2,20-11-7-5-8-12-20)23-17-24(30(3,4)21-13-9-6-10-14-21)28(38)27(19-23)37-35-25-16-15-22(31(32,33)34)18-26(25)36-37;1-19(2,3)13-9-14(20(4,5)6)18(28)17(11-13)27-25-15-8-7-12(21(22,23)24)10-16(15)26-27/h5-19,38H,1-4H3;7-11,28H,1-6H3
InChIKeyWTFZGFTYRLLQEL-UHFFFAOYSA-N
XLogP13.54
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.02
LogP ≤ 513.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

Octrizole
CID 62485
Bisoctrizole
CID 3571576
UV-328
CID 33263
2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
CID 112412
2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole
CID 77455
4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol
CID 118327
2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol
CID 9803353
2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
CID 86375
Phenol, 2-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-6-[5-(trifluoromethyl)-2H-benzotriazol-2-yl]-
CID 9914271
CID 22319942
CID 22319942
2-(2H-Benzotriazol-2-yl)-4,6-bis(tert-pentyl)phenol N-oxide
CID 11143110
2-(2H-Benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol
CID 14297369

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The IUPAC name of 2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (CID 87867348) is 2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The canonical SMILES for 2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is CC(C)(C)c1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)C)c1.CC(C)(c1ccccc1)c1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The InChIKey is WTFZGFTYRLLQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N3O.C21H24F3N3O/c1-29(2,20-11-7-5-8-12-20)23-17-24(30(3,4)21-13-9-6-10-14-21)28(38)27(19-23)37-35-25-16-15-22(31(32,33)34)18-26(25)36-37;1-19(2,3)13-9-14(20(4,5)6)18(28)17(11-13)27-25-15-8-7-12(21(22,23)24)10-16(15)26-27/h5-19,38H,1-4H3;7-11,28H,1-6H3.
What are the key properties of 2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol has a molecular weight of 907.02 g/mol, XLogP of 13.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2,4-ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 87867348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).