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885278-37-5 molecular structure
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4-[2-(triphenylmethyl)-2H-1,2,3,4-tetrazol-5-yl]phenol

ChemBase ID: 811194
Molecular Formular: C26H20N4O
Molecular Mass: 404.4632
Monoisotopic Mass: 404.16371128
SMILES and InChIs

SMILES:
c1(ccc(cc1)c1nn(nn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)O
Canonical SMILES:
Oc1ccc(cc1)c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C26H20N4O/c31-24-18-16-20(17-19-24)25-27-29-30(28-25)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,31H
InChIKey:
RVOUIKOXCBVEQP-UHFFFAOYSA-N

Cite this record

CBID:811194 http://www.chembase.cn/molecule-811194.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(triphenylmethyl)-2H-1,2,3,4-tetrazol-5-yl]phenol
IUPAC Traditional name
4-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenol
Synonyms
4-(2-TRITYL-2H-TETRAZOL-5-YL)-PHENOL
CAS Number
885278-37-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30343 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30343 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.919144  H Acceptors
H Donor LogD (pH = 5.5) 6.9519777 
LogD (pH = 7.4) 6.9392533  Log P 6.9521422 
Molar Refractivity 145.6673 cm3 Polarizability 46.830173 Å3
Polar Surface Area 63.83 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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