1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole

C22H17N3O — CID 3714144

IUPAC1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole
SMILESC1=CC(c2ccccc2)(c2ccccc2)OC1n1nnc2ccccc21
InChIInChI=1S/C22H17N3O/c1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)16-15-21(26-22)25-20-14-8-7-13-19(20)23-24-25/h1-16,21H
InChIKeyLTWKBHBXZBEPBX-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.46
Rot. Bonds3

About 1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole

1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole (PubChem CID 3714144) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole.

Molecular Properties

Compound Name1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole
PubChem CID3714144
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole
SMILESC1=CC(c2ccccc2)(c2ccccc2)OC1n1nnc2ccccc21
InChIInChI=1S/C22H17N3O/c1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)16-15-21(26-22)25-20-14-8-7-13-19(20)23-24-25/h1-16,21H
InChIKeyLTWKBHBXZBEPBX-UHFFFAOYSA-N
XLogP4.46
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Benzotriazol-1-YL-acetic acid benzyl ester
CID 854230
1-[2-(2-Prop-2-enylphenoxy)ethyl]benzotriazole
CID 2986689
1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]benzotriazole
CID 53377791
1-(Benzyloxycarbonyl)benzotriazole
CID 357512
3-(Benzotriazol-1-yl)-1-phenylpropan-1-ol
CID 3525185
[3-(Benzotriazol-1-ylmethoxy)-2-phenylmethoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 44578058
1-[3-Phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]benzotriazole
CID 53319206
1-(Ethoxyphenylmethyl)-1H-benzotriazole
CID 3729020
1-[2,6-bis(4-fluorophenyl)-4H-pyran-4-yl]benzotriazole
CID 11143558
1-[3-(4-ethylphenoxy)propyl]-1H-1,2,3-benzotriazole
CID 2991798
2-(Benzotriazol-1-yl)-1-phenylethanol
CID 3375746
1-[Phenyl(propan-2-yloxy)methyl]benzotriazole
CID 3305553

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole?
The IUPAC name of 1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole (CID 3714144) is 1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole.
What is the SMILES notation for 1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole?
The canonical SMILES for 1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole is C1=CC(c2ccccc2)(c2ccccc2)OC1n1nnc2ccccc21.
What is the InChIKey of 1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole?
The InChIKey is LTWKBHBXZBEPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)16-15-21(26-22)25-20-14-8-7-13-19(20)23-24-25/h1-16,21H.
What are the key properties of 1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole?
1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole has a molecular weight of 339.40 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-diphenyl-2H-furan-2-yl)benzotriazole is sourced from PubChem (CID 3714144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).