2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole

C30H28N4O — CID 166970938

IUPAC2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole
SMILESCC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(N=O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C30H28N4O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(33-35)27(20-23)34-31-25-17-11-12-18-26(25)32-34/h5-20H,1-4H3
InChIKeyFTSGTGNCYVVFRF-UHFFFAOYSA-N
MW460.58 g/mol
LogP7.47
Rot. Bonds6

About 2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole

2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole (PubChem CID 166970938) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole.

Molecular Properties

Compound Name2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole
PubChem CID166970938
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole
SMILESCC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(N=O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C30H28N4O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(33-35)27(20-23)34-31-25-17-11-12-18-26(25)32-34/h5-20H,1-4H3
InChIKeyFTSGTGNCYVVFRF-UHFFFAOYSA-N
XLogP7.47
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-ditert-butyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204967
2-[3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-2-methyl-5-(2-phenylpropan-2-yl)phenyl]benzotriazole
CID 145229704
tetrakis(2,4-bis(2-phenylpropan-2-yl)phenolate);titanium(4+)
CID 22395010
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
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
2-(benzotriazol-2-yl)-4-pentyl-6-(2-phenylpropan-2-yl)phenol
CID 70822245
[2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] tert-butyl carbonate
CID 118443326
2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol
CID 18515457
2-(benzotriazol-2-yl)-4-nonyl-6-(2-phenylpropan-2-yl)phenol
CID 19971315
2-tert-butyl-4-methyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204972
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-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole?
The IUPAC name of 2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole (CID 166970938) is 2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole.
What is the SMILES notation for 2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole?
The canonical SMILES for 2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole is CC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(N=O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole?
The InChIKey is FTSGTGNCYVVFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(33-35)27(20-23)34-31-25-17-11-12-18-26(25)32-34/h5-20H,1-4H3.
What are the key properties of 2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole?
2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole has a molecular weight of 460.58 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-nitroso-3,5-bis(2-phenylpropan-2-yl)phenyl]benzotriazole is sourced from PubChem (CID 166970938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).