benzyl(trityl)azanium hydroxide

C26H25NO — CID 139630994

IUPACbenzyl(trityl)azanium hydroxide
SMILES[OH-].c1ccc(C[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23N.H2O/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20,27H,21H2;1H2
InChIKeyPAKRDWVPHGCIDK-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.57
Rot. Bonds6

About benzyl(trityl)azanium hydroxide

benzyl(trityl)azanium hydroxide (PubChem CID 139630994) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is benzyl(trityl)azanium hydroxide.

Molecular Properties

Compound Namebenzyl(trityl)azanium hydroxide
PubChem CID139630994
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Namebenzyl(trityl)azanium hydroxide
SMILES[OH-].c1ccc(C[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23N.H2O/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20,27H,21H2;1H2
InChIKeyPAKRDWVPHGCIDK-UHFFFAOYSA-N
XLogP4.57
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 benzyl(trityl)azanium hydroxide?
The IUPAC name of benzyl(trityl)azanium hydroxide (CID 139630994) is benzyl(trityl)azanium hydroxide.
What is the SMILES notation for benzyl(trityl)azanium hydroxide?
The canonical SMILES for benzyl(trityl)azanium hydroxide is [OH-].c1ccc(C[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl(trityl)azanium hydroxide?
The InChIKey is PAKRDWVPHGCIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N.H2O/c1-5-13-22(14-6-1)21-27-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20,27H,21H2;1H2.
What are the key properties of benzyl(trityl)azanium hydroxide?
benzyl(trityl)azanium hydroxide has a molecular weight of 367.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trityl)azanium hydroxide is sourced from PubChem (CID 139630994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).