5-octyl-2-phenylbenzotriazole

C20H25N3 — CID 174311499

IUPAC5-octyl-2-phenylbenzotriazole
SMILESCCCCCCCCc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C20H25N3/c1-2-3-4-5-6-8-11-17-14-15-19-20(16-17)22-23(21-19)18-12-9-7-10-13-18/h7,9-10,12-16H,2-6,8,11H2,1H3
InChIKeyQBOTXTPLYBQLCR-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.32
Rot. Bonds8

About 5-octyl-2-phenylbenzotriazole

5-octyl-2-phenylbenzotriazole (PubChem CID 174311499) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 5-octyl-2-phenylbenzotriazole.

Molecular Properties

Compound Name5-octyl-2-phenylbenzotriazole
PubChem CID174311499
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name5-octyl-2-phenylbenzotriazole
SMILESCCCCCCCCc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C20H25N3/c1-2-3-4-5-6-8-11-17-14-15-19-20(16-17)22-23(21-19)18-12-9-7-10-13-18/h7,9-10,12-16H,2-6,8,11H2,1H3
InChIKeyQBOTXTPLYBQLCR-UHFFFAOYSA-N
XLogP5.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-dodecylbenzotriazol-2-yl)-4-methyl-6-octylphenol
CID 19872110
1,3-di(tetradecyl)benzene
CID 91053224
3-hexylacridine
CID 21394642
N-(2-phenylbenzotriazol-5-yl)pentanamide
CID 17219676
2-[3-pentyl-5-[2-(4-phenylphenyl)pentyl]phenyl]benzotriazole
CID 155385159
1-benzyl-3-pentadecylbenzene
CID 173121378
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
octaoctacontylbenzene
CID 165359374
1-[3-(benzotriazol-2-yl)-5-pentylphenyl]pentan-2-ol
CID 73011049

Frequently Asked Questions

What is the IUPAC name of 5-octyl-2-phenylbenzotriazole?
The IUPAC name of 5-octyl-2-phenylbenzotriazole (CID 174311499) is 5-octyl-2-phenylbenzotriazole.
What is the SMILES notation for 5-octyl-2-phenylbenzotriazole?
The canonical SMILES for 5-octyl-2-phenylbenzotriazole is CCCCCCCCc1ccc2nn(-c3ccccc3)nc2c1.
What is the InChIKey of 5-octyl-2-phenylbenzotriazole?
The InChIKey is QBOTXTPLYBQLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-2-3-4-5-6-8-11-17-14-15-19-20(16-17)22-23(21-19)18-12-9-7-10-13-18/h7,9-10,12-16H,2-6,8,11H2,1H3.
What are the key properties of 5-octyl-2-phenylbenzotriazole?
5-octyl-2-phenylbenzotriazole has a molecular weight of 307.44 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-2-phenylbenzotriazole is sourced from PubChem (CID 174311499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).