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87268-78-8 molecular structure
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5-phenyl-2-(triphenylmethyl)-2H-1,2,3,4-tetrazole

ChemBase ID: 176675
Molecular Formular: C26H20N4
Molecular Mass: 388.4638
Monoisotopic Mass: 388.16879666
SMILES and InChIs

SMILES:
n1(nc(nn1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C26H20N4/c1-5-13-21(14-6-1)25-27-29-30(28-25)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey:
HOCMARZVAUWOFA-UHFFFAOYSA-N

Cite this record

CBID:176675 http://www.chembase.cn/molecule-176675.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-phenyl-2-(triphenylmethyl)-2H-1,2,3,4-tetrazole
IUPAC Traditional name
5-phenyl-2-(triphenylmethyl)-1,2,3,4-tetrazole
Synonyms
5-Phenyl-2-(triphenylmethyl)-2H-tetrazole
5-Phenyl-2-trityltetrazole
CAS Number
87268-78-8
PubChem SID
164232585
PubChem CID
3292959

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P337900 external link Add to cart
PubChem 3292959 external link
Data Source Data ID Price
TRC
P337900 external link Add to cart Please log in.
Data Source Data ID
PubChem 3292959 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.231593  LogD (pH = 7.4) 7.231593 
Log P 7.231593  Molar Refractivity 143.6864 cm3
Polarizability 46.273945 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Methanol expand Show data source
Tetrahydrofuran expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P337900 external link
An intermediate in the synthesis of Losartan

REFERENCES

REFERENCES

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  • • Chu, L., et al.: Bioorg. Med. Chem. Lett., 5, 2245 (1995)
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PATENTS

PATENTS

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INTERNET

INTERNET

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