3-nonylbenzo[f]benzotriazole-4,9-dione

C19H23N3O2 — CID 102140623

IUPAC3-nonylbenzo[f]benzotriazole-4,9-dione
SMILESCCCCCCCCCn1nnc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H23N3O2/c1-2-3-4-5-6-7-10-13-22-17-16(20-21-22)18(23)14-11-8-9-12-15(14)19(17)24/h8-9,11-12H,2-7,10,13H2,1H3
InChIKeyHNWWHSKCKLWHBX-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.80
Rot. Bonds8

About 3-nonylbenzo[f]benzotriazole-4,9-dione

3-nonylbenzo[f]benzotriazole-4,9-dione (PubChem CID 102140623) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-nonylbenzo[f]benzotriazole-4,9-dione.

Molecular Properties

Compound Name3-nonylbenzo[f]benzotriazole-4,9-dione
PubChem CID102140623
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-nonylbenzo[f]benzotriazole-4,9-dione
SMILESCCCCCCCCCn1nnc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H23N3O2/c1-2-3-4-5-6-7-10-13-22-17-16(20-21-22)18(23)14-11-8-9-12-15(14)19(17)24/h8-9,11-12H,2-7,10,13H2,1H3
InChIKeyHNWWHSKCKLWHBX-UHFFFAOYSA-N
XLogP3.80
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-undecylbenzo[f]benzotriazol-3-ium-4,9-dione chloride
CID 57403164
3-methyl-1-nonylbenzo[f]benzotriazol-3-ium-4,9-dione chloride
CID 57392713
3-decyl-1-hexylbenzo[f]benzotriazol-3-ium-4,9-dione chloride
CID 57333383
1-hexyl-5-(2-methylphenyl)triazole-4-carbaldehyde
CID 82205983
1-dodecyl-3-pentylbenzo[f]benzotriazol-3-ium-4,9-dione chloride
CID 57333658
3-prop-2-enylbenzo[f]benzotriazole-4,9-dione
CID 66750002
5-(2-chlorophenyl)-1-heptyltriazole-4-carbaldehyde
CID 98824375
1-tridecylbenzotriazole
CID 21059042
silver 1-octylbenzotriazole
CID 19818350
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82208051
5-(2-chlorophenyl)-1-heptyltriazole-4-carbonitrile
CID 82208078
1-heptyl-5-(4-methoxyphenyl)-4-phenyltriazole
CID 102087796

Frequently Asked Questions

What is the IUPAC name of 3-nonylbenzo[f]benzotriazole-4,9-dione?
The IUPAC name of 3-nonylbenzo[f]benzotriazole-4,9-dione (CID 102140623) is 3-nonylbenzo[f]benzotriazole-4,9-dione.
What is the SMILES notation for 3-nonylbenzo[f]benzotriazole-4,9-dione?
The canonical SMILES for 3-nonylbenzo[f]benzotriazole-4,9-dione is CCCCCCCCCn1nnc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-nonylbenzo[f]benzotriazole-4,9-dione?
The InChIKey is HNWWHSKCKLWHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-3-4-5-6-7-10-13-22-17-16(20-21-22)18(23)14-11-8-9-12-15(14)19(17)24/h8-9,11-12H,2-7,10,13H2,1H3.
What are the key properties of 3-nonylbenzo[f]benzotriazole-4,9-dione?
3-nonylbenzo[f]benzotriazole-4,9-dione has a molecular weight of 325.41 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonylbenzo[f]benzotriazole-4,9-dione is sourced from PubChem (CID 102140623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).