2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol

C34H36N6O2 — CID 23508614

IUPAC2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol
SMILESCCCCCCCC(c1cc(C)cc(-n2nc3ccccc3n2)c1O)c1cc(C)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C34H36N6O2/c1-4-5-6-7-8-13-24(25-18-22(2)20-31(33(25)41)39-35-27-14-9-10-15-28(27)36-39)26-19-23(3)21-32(34(26)42)40-37-29-16-11-12-17-30(29)38-40/h9-12,14-21,24,41-42H,4-8,13H2,1-3H3
InChIKeyISIWILAERZQNJN-UHFFFAOYSA-N
MW560.70 g/mol
LogP7.67
Rot. Bonds10

About 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol

2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol (PubChem CID 23508614) has the molecular formula C34H36N6O2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol
PubChem CID23508614
Molecular FormulaC34H36N6O2
Molecular Weight560.70 g/mol
Exact Mass560.29
IUPAC Name2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol
SMILESCCCCCCCC(c1cc(C)cc(-n2nc3ccccc3n2)c1O)c1cc(C)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C34H36N6O2/c1-4-5-6-7-8-13-24(25-18-22(2)20-31(33(25)41)39-35-27-14-9-10-15-28(27)36-39)26-19-23(3)21-32(34(26)42)40-37-29-16-11-12-17-30(29)38-40/h9-12,14-21,24,41-42H,4-8,13H2,1-3H3
InChIKeyISIWILAERZQNJN-UHFFFAOYSA-N
XLogP7.67
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol (CID 23508614) is 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol is CCCCCCCC(c1cc(C)cc(-n2nc3ccccc3n2)c1O)c1cc(C)cc(-n2nc3ccccc3n2)c1O.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol?
The InChIKey is ISIWILAERZQNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O2/c1-4-5-6-7-8-13-24(25-18-22(2)20-31(33(25)41)39-35-27-14-9-10-15-28(27)36-39)26-19-23(3)21-32(34(26)42)40-37-29-16-11-12-17-30(29)38-40/h9-12,14-21,24,41-42H,4-8,13H2,1-3H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol?
2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol has a molecular weight of 560.70 g/mol, XLogP of 7.67, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-6-[1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]octyl]-4-methylphenol is sourced from PubChem (CID 23508614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).