5-phenyl-2-trityltetrazole

C26H20N4 — CID 3292959

IUPAC5-phenyl-2-trityltetrazole
SMILESc1ccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C26H20N4/c1-5-13-21(14-6-1)25-27-29-30(28-25)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyHOCMARZVAUWOFA-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.18
Rot. Bonds5

About 5-phenyl-2-trityltetrazole

5-phenyl-2-trityltetrazole (PubChem CID 3292959) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-phenyl-2-trityltetrazole.

Molecular Properties

Compound Name5-phenyl-2-trityltetrazole
PubChem CID3292959
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name5-phenyl-2-trityltetrazole
SMILESc1ccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C26H20N4/c1-5-13-21(14-6-1)25-27-29-30(28-25)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyHOCMARZVAUWOFA-UHFFFAOYSA-N
XLogP5.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.18
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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Related Compounds

2,3-Diphenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
CID 9953409
2-(1-adamantyl)-5-phenyl-2H-tetrazole
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2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
5-phenyl-2-(2-phenylpropan-2-yl)-2H-tetrazole
CID 1289594
5-(4'-(Bromomethyl)-1,1'-biphenyl-2-yl)-2-triphenylmethyl-2H-tetrazole
CID 10864621
[2-[2-(Triphenylmethyl)-2H-tetrazol-5-yl]phenyl]boronic acid
CID 9954488
5-biphenyl-2-yl-1H-tetrazole
CID 15207492
3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propionitrile
CID 10802348
2-(3-Fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium chloride
CID 44456047
2-(2-Fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
CID 44456082
2-(4-Fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
CID 44456163
2,5-Diphenyl-3-(4-styrylphenyl)tetrazolium Chloride
CID 9932775

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-trityltetrazole?
The IUPAC name of 5-phenyl-2-trityltetrazole (CID 3292959) is 5-phenyl-2-trityltetrazole.
What is the SMILES notation for 5-phenyl-2-trityltetrazole?
The canonical SMILES for 5-phenyl-2-trityltetrazole is c1ccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 5-phenyl-2-trityltetrazole?
The InChIKey is HOCMARZVAUWOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-5-13-21(14-6-1)25-27-29-30(28-25)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of 5-phenyl-2-trityltetrazole?
5-phenyl-2-trityltetrazole has a molecular weight of 388.47 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-trityltetrazole is sourced from PubChem (CID 3292959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).