WIK

(5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole

Created:	2022-09-13
Last modified:	2023-03-08

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1 entries where WIK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	17

2D diagram of WIK

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Chemical Component Summary
Name	(5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole
Systematic Name (OpenEye OEToolkits)	5-[2-(4-methylphenyl)phenyl]-1~{H}-1,2,3,4-tetrazole
Formula	C₁₄ H₁₂ N₄
Molecular Weight	236.272
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccc(cc1)c1ccccc1c1nnn[NH]1
SMILES	CACTVS	3.385	Cc1ccc(cc1)c2ccccc2c3[nH]nnn3
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)c2ccccc2c3[nH]nnn3
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1)c2ccccc2c3[nH]nnn3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)c2ccccc2c3[nH]nnn3
InChI	InChI	1.06	InChI=1S/C14H12N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18)
InChIKey	InChI	1.06	VWOJMXKARYCRCC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9794697
ChEMBL	CHEMBL1908064
CCDC/CSD	VEBXEG01, VEBXEG

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