2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol

C36H33N3O — CID 140668403

IUPAC2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccccc1)c1cc(-c2ccccc2-c2cccc3n[nH]nc23)cc(C(C)(C)c2ccccc2O)c1
InChIInChI=1S/C36H33N3O/c1-35(2,25-13-6-5-7-14-25)26-21-24(22-27(23-26)36(3,4)31-18-10-11-20-33(31)40)28-15-8-9-16-29(28)30-17-12-19-32-34(30)38-39-37-32/h5-23,40H,1-4H3,(H,37,38,39)
InChIKeyCJWOWMAVPAZGBG-UHFFFAOYSA-N
MW523.68 g/mol
LogP8.65
Rot. Bonds6

About 2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol

2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol (PubChem CID 140668403) has the molecular formula C36H33N3O and a molecular weight of 523.68 g/mol. Its IUPAC name is 2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol
PubChem CID140668403
Molecular FormulaC36H33N3O
Molecular Weight523.68 g/mol
Exact Mass523.26
IUPAC Name2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccccc1)c1cc(-c2ccccc2-c2cccc3n[nH]nc23)cc(C(C)(C)c2ccccc2O)c1
InChIInChI=1S/C36H33N3O/c1-35(2,25-13-6-5-7-14-25)26-21-24(22-27(23-26)36(3,4)31-18-10-11-20-33(31)40)28-15-8-9-16-29(28)30-17-12-19-32-34(30)38-39-37-32/h5-23,40H,1-4H3,(H,37,38,39)
InChIKeyCJWOWMAVPAZGBG-UHFFFAOYSA-N
XLogP8.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol
CID 141211164
4-(2-tert-butylphenyl)-2H-benzotriazole
CID 154366166
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
4-trityl-2H-benzotriazole
CID 176842365
3-(2H-benzotriazol-4-yl)-2-[[2-(2H-benzotriazol-4-yl)-6-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenol
CID 89439561
ethoxyethane;2-(2-phenylpropan-2-yl)phenol
CID 126484848
2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol
CID 25029551
1-(2-phenylpropan-2-yl)acridine
CID 175451537
2-[4-[bis(2H-benzotriazol-4-yl)methyl]-2,3,3-trimethylpent-4-en-2-yl]phenol
CID 22035560
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol?
The IUPAC name of 2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol (CID 140668403) is 2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol.
What is the SMILES notation for 2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol?
The canonical SMILES for 2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol is CC(C)(c1ccccc1)c1cc(-c2ccccc2-c2cccc3n[nH]nc23)cc(C(C)(C)c2ccccc2O)c1.
What is the InChIKey of 2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol?
The InChIKey is CJWOWMAVPAZGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N3O/c1-35(2,25-13-6-5-7-14-25)26-21-24(22-27(23-26)36(3,4)31-18-10-11-20-33(31)40)28-15-8-9-16-29(28)30-17-12-19-32-34(30)38-39-37-32/h5-23,40H,1-4H3,(H,37,38,39).
What are the key properties of 2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol?
2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol has a molecular weight of 523.68 g/mol, XLogP of 8.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol is sourced from PubChem (CID 140668403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).