5-benzhydrylidene-1-phenyl-2H-tetrazole

C20H16N4 — CID 134873352

IUPAC5-benzhydrylidene-1-phenyl-2H-tetrazole
SMILESc1ccc(C(=C2N=NNN2c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H16N4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-21-22-23-24(20)18-14-8-3-9-15-18/h1-15H,(H,21,23)
InChIKeyOLKLJQVBDCFKGK-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.80
Rot. Bonds3

About 5-benzhydrylidene-1-phenyl-2H-tetrazole

5-benzhydrylidene-1-phenyl-2H-tetrazole (PubChem CID 134873352) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-benzhydrylidene-1-phenyl-2H-tetrazole.

Molecular Properties

Compound Name5-benzhydrylidene-1-phenyl-2H-tetrazole
PubChem CID134873352
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name5-benzhydrylidene-1-phenyl-2H-tetrazole
SMILESc1ccc(C(=C2N=NNN2c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H16N4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-21-22-23-24(20)18-14-8-3-9-15-18/h1-15H,(H,21,23)
InChIKeyOLKLJQVBDCFKGK-UHFFFAOYSA-N
XLogP4.80
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzhydrylidene-1-phenyl-2H-tetrazole?
The IUPAC name of 5-benzhydrylidene-1-phenyl-2H-tetrazole (CID 134873352) is 5-benzhydrylidene-1-phenyl-2H-tetrazole.
What is the SMILES notation for 5-benzhydrylidene-1-phenyl-2H-tetrazole?
The canonical SMILES for 5-benzhydrylidene-1-phenyl-2H-tetrazole is c1ccc(C(=C2N=NNN2c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-benzhydrylidene-1-phenyl-2H-tetrazole?
The InChIKey is OLKLJQVBDCFKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-21-22-23-24(20)18-14-8-3-9-15-18/h1-15H,(H,21,23).
What are the key properties of 5-benzhydrylidene-1-phenyl-2H-tetrazole?
5-benzhydrylidene-1-phenyl-2H-tetrazole has a molecular weight of 312.38 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylidene-1-phenyl-2H-tetrazole is sourced from PubChem (CID 134873352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).