2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol

C33H34N6O2 — CID 132568547

IUPAC2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol
SMILESCCCCc1cc(Cc2cc(CCCC)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C33H34N6O2/c1-3-5-11-22-17-24(32(40)30(19-22)38-34-26-13-7-8-14-27(26)35-38)21-25-18-23(12-6-4-2)20-31(33(25)41)39-36-28-15-9-10-16-29(28)37-39/h7-10,13-20,40-41H,3-6,11-12,21H2,1-2H3
InChIKeySQGPMYWTBWJDBX-UHFFFAOYSA-N
MW546.68 g/mol
LogP6.84
Rot. Bonds10

About 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol

2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol (PubChem CID 132568547) has the molecular formula C33H34N6O2 and a molecular weight of 546.68 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol
PubChem CID132568547
Molecular FormulaC33H34N6O2
Molecular Weight546.68 g/mol
Exact Mass546.27
IUPAC Name2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol
SMILESCCCCc1cc(Cc2cc(CCCC)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C33H34N6O2/c1-3-5-11-22-17-24(32(40)30(19-22)38-34-26-13-7-8-14-27(26)35-38)21-25-18-23(12-6-4-2)20-31(33(25)41)39-36-28-15-9-10-16-29(28)37-39/h7-10,13-20,40-41H,3-6,11-12,21H2,1-2H3
InChIKeySQGPMYWTBWJDBX-UHFFFAOYSA-N
XLogP6.84
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(benzotriazol-2-yl)-4,6-dibutylphenol
CID 12837390
2-(benzotriazol-2-yl)-6-dodecyl-4-octylphenol
CID 164590225
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(3-hydroxypropyl)phenyl]methyl]-4-(3-hydroxypropyl)phenol
CID 66593002
2-(benzotriazol-2-yl)-6-decyl-4-propylphenol
CID 164590219
[3-(benzotriazol-2-yl)-2-hydroxy-5-pentylphenyl]-phenylmethanone
CID 66970167
2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol
CID 152598863
2-[3-(benzotriazol-2-yl)-5-[[3-(benzotriazol-2-yl)-2-hydroxy-5-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]methyl]-4-hydroxyphenyl]ethyl 2-methylprop-2-enoate
CID 18474465
2,3-bis[2-[3-(benzotriazol-2-yl)-4-hydroxy-5-octylphenyl]ethyl]terephthalic acid
CID 66765632
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol
CID 146444364
2-(benzotriazol-2-yl)-4-pentyl-6-(2-phenylpropan-2-yl)phenol
CID 70822245
2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol
CID 19971315
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(1-hydroxyethyl)phenyl]methyl]-4-(1-hydroxyethyl)phenol
CID 18521144

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol (CID 132568547) is 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol is CCCCc1cc(Cc2cc(CCCC)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol?
The InChIKey is SQGPMYWTBWJDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O2/c1-3-5-11-22-17-24(32(40)30(19-22)38-34-26-13-7-8-14-27(26)35-38)21-25-18-23(12-6-4-2)20-31(33(25)41)39-36-28-15-9-10-16-29(28)37-39/h7-10,13-20,40-41H,3-6,11-12,21H2,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol?
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol has a molecular weight of 546.68 g/mol, XLogP of 6.84, 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-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol is sourced from PubChem (CID 132568547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).