5-(4'-hydroxymethyl-1,1'-biphenyl-2-yl)-2-triphenylmethyl-2H-tetrazole

HCID 10074472

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIKey: KAERHHNMTJTOOG-UHFFFAOYSA-N
Molecular formula: C33H26N4O
Average molar mass: 494.6 g/mol

Names & identifiers

Preferred name: 5-(4'-hydroxymethyl-1,1'-biphenyl-2-yl)-2-triphenylmethyl-2H-tetrazole
IUPAC: [4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methanol

Names & synonyms

SCHEMBL4638349KAERHHNMTJTOOG-UHFFFAOYSA-NDB-2292945-(4'-hydroxymethyl-1,1'-biphenyl-2-yl)-2-triphenylmethyl-2H-tetrazole

Database identifiers

PubChem CID: 10074472

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 63.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 38
Formal charge: 0
Complexity: 660

Related reactions

7 records

New reaction record

HRID 654335As reactantuspto-grants-1992_07

HRID 953663As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1033601As reactantuspto-grants-1994_05

HRID 1033603As productuspto-grants-1994_05

HRID 1138395As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1591375As reactantuspto-grants-1993_04

HRID 1591376As productuspto-grants-1993_04

Compound notes

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