2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol

C34H35ClN6O2 — CID 172825279

IUPAC2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol
SMILESCc1cc(-c2cc3nn(-n4nc5ccccc5n4)nc3c(-c3cc(C)cc(C(C)(C)C)c3O)c2Cl)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C34H35ClN6O2/c1-18-13-21(31(42)23(15-18)33(3,4)5)20-17-27-30(39-41(38-27)40-36-25-11-9-10-12-26(25)37-40)28(29(20)35)22-14-19(2)16-24(32(22)43)34(6,7)8/h9-17,42-43H,1-8H3
InChIKeyUTVCZCLLBVNWPO-UHFFFAOYSA-N
MW595.15 g/mol
LogP8.10
Rot. Bonds3

About 2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol

2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol (PubChem CID 172825279) has the molecular formula C34H35ClN6O2 and a molecular weight of 595.15 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol
PubChem CID172825279
Molecular FormulaC34H35ClN6O2
Molecular Weight595.15 g/mol
Exact Mass594.25
IUPAC Name2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol
SMILESCc1cc(-c2cc3nn(-n4nc5ccccc5n4)nc3c(-c3cc(C)cc(C(C)(C)C)c3O)c2Cl)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C34H35ClN6O2/c1-18-13-21(31(42)23(15-18)33(3,4)5)20-17-27-30(39-41(38-27)40-36-25-11-9-10-12-26(25)37-40)28(29(20)35)22-14-19(2)16-24(32(22)43)34(6,7)8/h9-17,42-43H,1-8H3
InChIKeyUTVCZCLLBVNWPO-UHFFFAOYSA-N
XLogP8.10
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.15
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-phenylindol-3-yl]-2-pyridinyl]-1-phenylindol-2-yl]-4-methylphenol
CID 154622756
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol
CID 154622742
2-tert-butyl-6-[2-[2-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)phenyl]-1,3-thiazol-4-yl]phenyl]-4-methylphenol;dichlorozirconium
CID 154622897
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;uranium;vanadium
CID 159773786
2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol
CID 136963399
2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium
CID 154622745
2-anthracen-9-yl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methoxyphenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol
CID 158624938
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol (CID 172825279) is 2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol is Cc1cc(-c2cc3nn(-n4nc5ccccc5n4)nc3c(-c3cc(C)cc(C(C)(C)C)c3O)c2Cl)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol?
The InChIKey is UTVCZCLLBVNWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClN6O2/c1-18-13-21(31(42)23(15-18)33(3,4)5)20-17-27-30(39-41(38-27)40-36-25-11-9-10-12-26(25)37-40)28(29(20)35)22-14-19(2)16-24(32(22)43)34(6,7)8/h9-17,42-43H,1-8H3.
What are the key properties of 2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol?
2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol has a molecular weight of 595.15 g/mol, XLogP of 8.10, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol is sourced from PubChem (CID 172825279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).