2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C41H50N6O2 — CID 18619046

IUPAC2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(-n2nnc3c(Cc4cccc5c4nnn5-c4cc(C(C)(C)CC(C)(C)C)ccc4O)cccc32)c1
InChIInChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-17-19-34(48)32(22-28)46-30-15-11-13-26(36(30)42-44-46)21-27-14-12-16-31-37(27)43-45-47(31)33-23-29(18-20-35(33)49)41(9,10)25-39(4,5)6/h11-20,22-23,48-49H,21,24-25H2,1-10H3
InChIKeyANJVAFAHFRFIFA-UHFFFAOYSA-N
MW658.89 g/mol
LogP9.58
Rot. Bonds8

About 2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 18619046) has the molecular formula C41H50N6O2 and a molecular weight of 658.89 g/mol. Its IUPAC name is 2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID18619046
Molecular FormulaC41H50N6O2
Molecular Weight658.89 g/mol
Exact Mass658.40
IUPAC Name2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(-n2nnc3c(Cc4cccc5c4nnn5-c4cc(C(C)(C)CC(C)(C)C)ccc4O)cccc32)c1
InChIInChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-17-19-34(48)32(22-28)46-30-15-11-13-26(36(30)42-44-46)21-27-14-12-16-31-37(27)43-45-47(31)33-23-29(18-20-35(33)49)41(9,10)25-39(4,5)6/h11-20,22-23,48-49H,21,24-25H2,1-10H3
InChIKeyANJVAFAHFRFIFA-UHFFFAOYSA-N
XLogP9.58
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.89
LogP ≤ 59.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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Related Compounds

Bisoctrizole
CID 3571576
2-(Benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol
CID 9807489
2-(Benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol
CID 23508614
[2,3-dibutyl-6-(2-hydroxy-3H-benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl]methanamine;2-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 160324372
2-(Benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;[2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] trifluoromethanesulfonate
CID 160727630
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
4-[3-(Benzotriazol-1-yl)-4,4-dimethyl-1-phenylpenta-1,2-dienyl]phenol
CID 101583067
1,2-Bis-[2-(2-hydroxy-5-methylphenyl)-5-benzotriazolyl]-ethane
CID 129717230
Cu(dmp)2-THPE
CID 139138682
Cu(dmp)2-THIB
CID 139138683
Acetic acid;bis(2,4-ditert-butyl-6-[4,6-ditert-butyl-2-[2,4-ditert-butyl-6-(4,6-ditert-butylbenzotriazol-1-yl)phenyl]benzotriazol-1-ium-1-yl]phenolate)
CID 139173166
2-(Benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 10860291

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 18619046) is 2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nnc3c(Cc4cccc5c4nnn5-c4cc(C(C)(C)CC(C)(C)C)ccc4O)cccc32)c1.
What is the InChIKey of 2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is ANJVAFAHFRFIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-17-19-34(48)32(22-28)46-30-15-11-13-26(36(30)42-44-46)21-27-14-12-16-31-37(27)43-45-47(31)33-23-29(18-20-35(33)49)41(9,10)25-39(4,5)6/h11-20,22-23,48-49H,21,24-25H2,1-10H3.
What are the key properties of 2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 658.89 g/mol, XLogP of 9.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazol-4-yl]methyl]benzotriazol-1-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 18619046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).