2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol

C34H37N3O — CID 18515457

IUPAC2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol
SMILESCCC(CC)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(CC)(CC)c2ccccc2)c1
InChIInChI=1S/C34H37N3O/c1-5-33(6-2,25-17-11-9-12-18-25)27-23-28(34(7-3,8-4)26-19-13-10-14-20-26)32(38)31(24-27)37-35-29-21-15-16-22-30(29)36-37/h9-24,38H,5-8H2,1-4H3
InChIKeyLVVABMPCSXLBTF-UHFFFAOYSA-N
MW503.69 g/mol
LogP8.34
Rot. Bonds9

About 2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol

2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol (PubChem CID 18515457) has the molecular formula C34H37N3O and a molecular weight of 503.69 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol
PubChem CID18515457
Molecular FormulaC34H37N3O
Molecular Weight503.69 g/mol
Exact Mass503.29
IUPAC Name2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol
SMILESCCC(CC)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(CC)(CC)c2ccccc2)c1
InChIInChI=1S/C34H37N3O/c1-5-33(6-2,25-17-11-9-12-18-25)27-23-28(34(7-3,8-4)26-19-13-10-14-20-26)32(38)31(24-27)37-35-29-21-15-16-22-30(29)36-37/h9-24,38H,5-8H2,1-4H3
InChIKeyLVVABMPCSXLBTF-UHFFFAOYSA-N
XLogP8.34
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol);zirconium
CID 87129662
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158345963
2H-benzotriazole;2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol
CID 87700797
3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one
CID 155928241
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol
CID 157340396
2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204967
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
4-tert-butyl-2-(5-fluorobenzotriazol-2-yl)-6-(2-phenylpropan-2-yl)phenol
CID 21258670
2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-propan-2-ylphenol
CID 143668280
1-[3-(benzotriazol-2-yl)-4-hydroxy-5-(2-phenylpropan-2-yl)phenyl]-4,4-dimethylhexan-3-one
CID 142257079

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol (CID 18515457) is 2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol is CCC(CC)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(CC)(CC)c2ccccc2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol?
The InChIKey is LVVABMPCSXLBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O/c1-5-33(6-2,25-17-11-9-12-18-25)27-23-28(34(7-3,8-4)26-19-13-10-14-20-26)32(38)31(24-27)37-35-29-21-15-16-22-30(29)36-37/h9-24,38H,5-8H2,1-4H3.
What are the key properties of 2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol?
2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol has a molecular weight of 503.69 g/mol, XLogP of 8.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol is sourced from PubChem (CID 18515457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).