5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole

C23H22N4 — CID 10546069

IUPAC5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole
SMILESCc1ccc(-c2ccccc2-c2nnn(C(C)(C)c3ccccc3)n2)cc1
InChIInChI=1S/C23H22N4/c1-17-13-15-18(16-14-17)20-11-7-8-12-21(20)22-24-26-27(25-22)23(2,3)19-9-5-4-6-10-19/h4-16H,1-3H3
InChIKeyIBZPJOUPMFZQKK-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.10
Rot. Bonds4

About 5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole

5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole (PubChem CID 10546069) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole
PubChem CID10546069
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole
SMILESCc1ccc(-c2ccccc2-c2nnn(C(C)(C)c3ccccc3)n2)cc1
InChIInChI=1S/C23H22N4/c1-17-13-15-18(16-14-17)20-11-7-8-12-21(20)22-24-26-27(25-22)23(2,3)19-9-5-4-6-10-19/h4-16H,1-3H3
InChIKeyIBZPJOUPMFZQKK-UHFFFAOYSA-N
XLogP5.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole?
The IUPAC name of 5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole (CID 10546069) is 5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole.
What is the SMILES notation for 5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole?
The canonical SMILES for 5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole is Cc1ccc(-c2ccccc2-c2nnn(C(C)(C)c3ccccc3)n2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole?
The InChIKey is IBZPJOUPMFZQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-17-13-15-18(16-14-17)20-11-7-8-12-21(20)22-24-26-27(25-22)23(2,3)19-9-5-4-6-10-19/h4-16H,1-3H3.
What are the key properties of 5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole?
5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole has a molecular weight of 354.46 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole is sourced from PubChem (CID 10546069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).