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N-Triphenylmethyl-5-benzyl-tetrazole

HCID 22407523
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
c1ccc(Cc2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
KWSPFYJBPGMRSI-UHFFFAOYSA-N
Molecular formula
C27H22N4
Average molar mass
402.5 g/mol

Names & identifiers

Preferred name
N-Triphenylmethyl-5-benzyl-tetrazole
IUPAC
5-benzyl-1-trityltetrazole

Names & synonyms

SCHEMBL9087766KWSPFYJBPGMRSI-UHFFFAOYSA-NN-Triphenylmethyl-5-benzyl-tetrazole

Database identifiers

PubChem CID
22407523
Nikkaji
J3.581.811A

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
43.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
31
Formal charge
0
Complexity
482

Related reactions

2 records
New reaction record
HRID 440596 reaction equation
HRID 440596As productuspto-grants-1996_05
HRID 946193 reaction equation
HRID 946193As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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