2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol

C39H46N6O2 — CID 155037879

IUPAC2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol
SMILESCC(CC(C)(C)C)c1cc(Cc2cc(C(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C39H46N6O2/c1-24(22-38(3,4)5)26-17-28(36(46)34(20-26)44-40-30-13-9-10-14-31(30)41-44)19-29-18-27(25(2)23-39(6,7)8)21-35(37(29)47)45-42-32-15-11-12-16-33(32)43-45/h9-18,20-21,24-25,46-47H,19,22-23H2,1-8H3
InChIKeyKNUKVTANSGCZPO-UHFFFAOYSA-N
MW630.84 g/mol
LogP9.24
Rot. Bonds8

About 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol

2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol (PubChem CID 155037879) has the molecular formula C39H46N6O2 and a molecular weight of 630.84 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol
PubChem CID155037879
Molecular FormulaC39H46N6O2
Molecular Weight630.84 g/mol
Exact Mass630.37
IUPAC Name2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol
SMILESCC(CC(C)(C)C)c1cc(Cc2cc(C(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C39H46N6O2/c1-24(22-38(3,4)5)26-17-28(36(46)34(20-26)44-40-30-13-9-10-14-31(30)41-44)19-29-18-27(25(2)23-39(6,7)8)21-35(37(29)47)45-42-32-15-11-12-16-33(32)43-45/h9-18,20-21,24-25,46-47H,19,22-23H2,1-8H3
InChIKeyKNUKVTANSGCZPO-UHFFFAOYSA-N
XLogP9.24
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.84
LogP ≤ 59.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol with MolForge

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Related Compounds

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2-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-indazol-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 130324226
2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol
CID 22758321
2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
CID 143668280
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-butyl-2-hydroxyphenyl]methyl]-4-butylphenol
CID 132568547
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-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[3-[dimethoxy(methyl)silyl]-2-methylpropyl]-4-methylphenol
CID 161266299
2-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-(7,8,9-triazabicyclo[4.3.1]deca-1(9),2,4,6-tetraen-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 142170163
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CID 158028605
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CID 22758320

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol (CID 155037879) is 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol is CC(CC(C)(C)C)c1cc(Cc2cc(C(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol?
The InChIKey is KNUKVTANSGCZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46N6O2/c1-24(22-38(3,4)5)26-17-28(36(46)34(20-26)44-40-30-13-9-10-14-31(30)41-44)19-29-18-27(25(2)23-39(6,7)8)21-35(37(29)47)45-42-32-15-11-12-16-33(32)43-45/h9-18,20-21,24-25,46-47H,19,22-23H2,1-8H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol?
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol has a molecular weight of 630.84 g/mol, XLogP of 9.24, 8 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-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol is sourced from PubChem (CID 155037879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).