3-phenyl-4,5-dihydrobenzo[e]benzotriazole

C16H13N3 — CID 134945123

IUPAC3-phenyl-4,5-dihydrobenzo[e]benzotriazole
SMILESc1ccc(-n2nnc3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C16H13N3/c1-2-7-13(8-3-1)19-15-11-10-12-6-4-5-9-14(12)16(15)17-18-19/h1-9H,10-11H2
InChIKeyGAMAGXZRRKKNJD-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.03
Rot. Bonds1

About 3-phenyl-4,5-dihydrobenzo[e]benzotriazole

3-phenyl-4,5-dihydrobenzo[e]benzotriazole (PubChem CID 134945123) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-phenyl-4,5-dihydrobenzo[e]benzotriazole.

Molecular Properties

Compound Name3-phenyl-4,5-dihydrobenzo[e]benzotriazole
PubChem CID134945123
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name3-phenyl-4,5-dihydrobenzo[e]benzotriazole
SMILESc1ccc(-n2nnc3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C16H13N3/c1-2-7-13(8-3-1)19-15-11-10-12-6-4-5-9-14(12)16(15)17-18-19/h1-9H,10-11H2
InChIKeyGAMAGXZRRKKNJD-UHFFFAOYSA-N
XLogP3.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Phenylphenyl)methyl]benzotriazole
CID 7504549
1-(Naphthalen-1-ylmethyl)-1H-1,2,3-benzotriazole
CID 775930
1-Tritylbenzotriazole
CID 3831542
4-(1H-1,2,3-Benzotriazol-1-yl)phthalonitrile
CID 618622
1-(4-Fluorophenyl)-5-methyl-4-phenyltriazole
CID 118737664
1-(3-Ethynylphenyl)-5-methyl-4-phenyltriazole
CID 2805016
1H-1,2,3-Triazole, 5-methyl-1-(1-naphthalenyl)-4-phenyl-
CID 3053677
(E)-2-(benzotriazol-1-yl)-3-(4-phenylphenyl)prop-2-enenitrile
CID 6475355
(E)-2-(benzotriazol-1-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 6475803
(2E)-2-Benzotriazolyl-4,4-diphenylbut-2-enenitrile
CID 6477944
1-Propan-2-ylbenzo[e]benzotriazole
CID 168296041
1,4,5-Triphenyl-1H-1,2,3-triazole
CID 277973

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4,5-dihydrobenzo[e]benzotriazole?
The IUPAC name of 3-phenyl-4,5-dihydrobenzo[e]benzotriazole (CID 134945123) is 3-phenyl-4,5-dihydrobenzo[e]benzotriazole.
What is the SMILES notation for 3-phenyl-4,5-dihydrobenzo[e]benzotriazole?
The canonical SMILES for 3-phenyl-4,5-dihydrobenzo[e]benzotriazole is c1ccc(-n2nnc3c2CCc2ccccc2-3)cc1.
What is the InChIKey of 3-phenyl-4,5-dihydrobenzo[e]benzotriazole?
The InChIKey is GAMAGXZRRKKNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-7-13(8-3-1)19-15-11-10-12-6-4-5-9-14(12)16(15)17-18-19/h1-9H,10-11H2.
What are the key properties of 3-phenyl-4,5-dihydrobenzo[e]benzotriazole?
3-phenyl-4,5-dihydrobenzo[e]benzotriazole has a molecular weight of 247.30 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5-dihydrobenzo[e]benzotriazole is sourced from PubChem (CID 134945123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).