2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol

C46H44N6O2S2 — CID 163427262

IUPAC2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol
SMILESCc1cc(-n2nc3ccc(Sc4ccc(-c5ccc(Sc6ccc7nn(-c8cc(C)cc(C(C)(C)C)c8O)nc7c6)cc5)cc4)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C46H44N6O2S2/c1-27-21-35(45(3,4)5)43(53)41(23-27)51-47-37-19-17-33(25-39(37)49-51)55-31-13-9-29(10-14-31)30-11-15-32(16-12-30)56-34-18-20-38-40(26-34)50-52(48-38)42-24-28(2)22-36(44(42)54)46(6,7)8/h9-26,53-54H,1-8H3
InChIKeyANPBARWFSZOESG-UHFFFAOYSA-N
MW777.03 g/mol
LogP11.75
Rot. Bonds7

About 2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol

2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol (PubChem CID 163427262) has the molecular formula C46H44N6O2S2 and a molecular weight of 777.03 g/mol. Its IUPAC name is 2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol
PubChem CID163427262
Molecular FormulaC46H44N6O2S2
Molecular Weight777.03 g/mol
Exact Mass776.30
IUPAC Name2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol
SMILESCc1cc(-n2nc3ccc(Sc4ccc(-c5ccc(Sc6ccc7nn(-c8cc(C)cc(C(C)(C)C)c8O)nc7c6)cc5)cc4)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C46H44N6O2S2/c1-27-21-35(45(3,4)5)43(53)41(23-27)51-47-37-19-17-33(25-39(37)49-51)55-31-13-9-29(10-14-31)30-11-15-32(16-12-30)56-34-18-20-38-40(26-34)50-52(48-38)42-24-28(2)22-36(44(42)54)46(6,7)8/h9-26,53-54H,1-8H3
InChIKeyANPBARWFSZOESG-UHFFFAOYSA-N
XLogP11.75
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.03
LogP ≤ 511.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol with MolForge

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Related Compounds

2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol
CID 154974006
1-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]butan-2-one
CID 160551530
1-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]-3-ethylurea
CID 154691891
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;uranium;vanadium
CID 159773786
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazole-5-carbonitrile
CID 87404105
2-tert-butyl-6-[5-(4-hydroxyanilino)benzotriazol-2-yl]-4-methylphenol
CID 164776488
2-tert-butyl-4-methyl-6-(5-methylbenzotriazol-2-yl)phenol;3-methylbut-3-en-2-one
CID 160836131
2-tert-butyl-4-methyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204972
2-tert-butyl-6-(5-tert-butylsulfonylbenzotriazol-2-yl)-4-methylphenol
CID 176607492
2-[5,6-bis(hydroxymethyl)benzotriazol-2-yl]-6-tert-butyl-4-methylphenol
CID 89032326
2-(5-anilinobenzotriazol-2-yl)-6-tert-butyl-4-methylphenol
CID 155248900
4-[4-hydroxy-3-(2-methylbutan-2-yl)-5-(5-phenylsulfanylbenzotriazol-2-yl)phenyl]benzoic acid
CID 139838851

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol (CID 163427262) is 2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol is Cc1cc(-n2nc3ccc(Sc4ccc(-c5ccc(Sc6ccc7nn(-c8cc(C)cc(C(C)(C)C)c8O)nc7c6)cc5)cc4)cc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol?
The InChIKey is ANPBARWFSZOESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N6O2S2/c1-27-21-35(45(3,4)5)43(53)41(23-27)51-47-37-19-17-33(25-39(37)49-51)55-31-13-9-29(10-14-31)30-11-15-32(16-12-30)56-34-18-20-38-40(26-34)50-52(48-38)42-24-28(2)22-36(44(42)54)46(6,7)8/h9-26,53-54H,1-8H3.
What are the key properties of 2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol?
2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol has a molecular weight of 777.03 g/mol, XLogP of 11.75, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[5-[4-[4-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl]phenyl]sulfanylbenzotriazol-2-yl]-4-methylphenol is sourced from PubChem (CID 163427262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).