5-(5-methyl-2-phenylphenyl)-2-trityltetrazole

C33H26N4 — CID 67300435

IUPAC5-(5-methyl-2-phenylphenyl)-2-trityltetrazole
SMILESCc1ccc(-c2ccccc2)c(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C33H26N4/c1-25-22-23-30(26-14-6-2-7-15-26)31(24-25)32-34-36-37(35-32)33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-24H,1H3
InChIKeyCGIWGLBVWLMFGK-UHFFFAOYSA-N
MW478.60 g/mol
LogP7.16
Rot. Bonds6

About 5-(5-methyl-2-phenylphenyl)-2-trityltetrazole

5-(5-methyl-2-phenylphenyl)-2-trityltetrazole (PubChem CID 67300435) has the molecular formula C33H26N4 and a molecular weight of 478.60 g/mol. Its IUPAC name is 5-(5-methyl-2-phenylphenyl)-2-trityltetrazole.

Molecular Properties

Compound Name5-(5-methyl-2-phenylphenyl)-2-trityltetrazole
PubChem CID67300435
Molecular FormulaC33H26N4
Molecular Weight478.60 g/mol
Exact Mass478.22
IUPAC Name5-(5-methyl-2-phenylphenyl)-2-trityltetrazole
SMILESCc1ccc(-c2ccccc2)c(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C33H26N4/c1-25-22-23-30(26-14-6-2-7-15-26)31(24-25)32-34-36-37(35-32)33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-24H,1H3
InChIKeyCGIWGLBVWLMFGK-UHFFFAOYSA-N
XLogP7.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-phenylphenyl)-2-trityltetrazole?
The IUPAC name of 5-(5-methyl-2-phenylphenyl)-2-trityltetrazole (CID 67300435) is 5-(5-methyl-2-phenylphenyl)-2-trityltetrazole.
What is the SMILES notation for 5-(5-methyl-2-phenylphenyl)-2-trityltetrazole?
The canonical SMILES for 5-(5-methyl-2-phenylphenyl)-2-trityltetrazole is Cc1ccc(-c2ccccc2)c(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1.
What is the InChIKey of 5-(5-methyl-2-phenylphenyl)-2-trityltetrazole?
The InChIKey is CGIWGLBVWLMFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4/c1-25-22-23-30(26-14-6-2-7-15-26)31(24-25)32-34-36-37(35-32)33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-24H,1H3.
What are the key properties of 5-(5-methyl-2-phenylphenyl)-2-trityltetrazole?
5-(5-methyl-2-phenylphenyl)-2-trityltetrazole has a molecular weight of 478.60 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-phenylphenyl)-2-trityltetrazole is sourced from PubChem (CID 67300435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).