2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C43H54N6O2 — CID 57003575

IUPAC2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCCC(c1cc(C(C)(C)CC(C)(C)C)cc(-n2nnc3ccccc32)c1O)c1cc(C(C)(C)CC(C)(C)C)cc(-n2nnc3ccccc32)c1O
InChIInChI=1S/C43H54N6O2/c1-12-29(30-21-27(42(8,9)25-40(2,3)4)23-36(38(30)50)48-34-19-15-13-17-32(34)44-46-48)31-22-28(43(10,11)26-41(5,6)7)24-37(39(31)51)49-35-20-16-14-18-33(35)45-47-49/h13-24,29,50-51H,12,25-26H2,1-11H3
InChIKeySQCUBSABBWPREI-UHFFFAOYSA-N
MW686.95 g/mol
LogP10.54
Rot. Bonds9

About 2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 57003575) has the molecular formula C43H54N6O2 and a molecular weight of 686.95 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID57003575
Molecular FormulaC43H54N6O2
Molecular Weight686.95 g/mol
Exact Mass686.43
IUPAC Name2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCCC(c1cc(C(C)(C)CC(C)(C)C)cc(-n2nnc3ccccc32)c1O)c1cc(C(C)(C)CC(C)(C)C)cc(-n2nnc3ccccc32)c1O
InChIInChI=1S/C43H54N6O2/c1-12-29(30-21-27(42(8,9)25-40(2,3)4)23-36(38(30)50)48-34-19-15-13-17-32(34)44-46-48)31-22-28(43(10,11)26-41(5,6)7)24-37(39(31)51)49-35-20-16-14-18-33(35)45-47-49/h13-24,29,50-51H,12,25-26H2,1-11H3
InChIKeySQCUBSABBWPREI-UHFFFAOYSA-N
XLogP10.54
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.95
LogP ≤ 510.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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Related Compounds

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2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
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2-(Benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol
CID 9807489
2,2'-Methylenebis[6-(2H-benzotriazol-2-yl)-4-methylphenol]
CID 9825602
2,2'-methylenebis[6-(2H-benzotriazole-2-yl)-4-(2-hydroxyethyl)phenol]
CID 10885852
2-(2H-Benzotriazol-2-yl)-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 15857769
2H-benzotriazole;2-(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 22268896
2-[[2-Hydroxy-5-(2-methylheptan-2-yl)-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]methyl]-4-(2-methylheptan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
CID 22507652
2-(Benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol
CID 23508614
2,2'-Methylene-bis[6-(5-trifluoromethyl-2H-benzotriazol-2-yl)-4-tert-octylphenol]
CID 86585535
2,4-Ditert-butyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol;2-dodecyl-4-methyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
CID 87691729
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

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 57003575) is 2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is CCC(c1cc(C(C)(C)CC(C)(C)C)cc(-n2nnc3ccccc32)c1O)c1cc(C(C)(C)CC(C)(C)C)cc(-n2nnc3ccccc32)c1O.
What is the InChIKey of 2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is SQCUBSABBWPREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54N6O2/c1-12-29(30-21-27(42(8,9)25-40(2,3)4)23-36(38(30)50)48-34-19-15-13-17-32(34)44-46-48)31-22-28(43(10,11)26-41(5,6)7)24-37(39(31)51)49-35-20-16-14-18-33(35)45-47-49/h13-24,29,50-51H,12,25-26H2,1-11H3.
What are the key properties of 2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 686.95 g/mol, XLogP of 10.54, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-6-[1-[3-(benzotriazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 57003575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).