phenyl-(1-tritylimidazol-4-yl)methanol

C29H24N2O — CID 15082943

IUPACphenyl-(1-tritylimidazol-4-yl)methanol
SMILESOC(c1ccccc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C29H24N2O/c32-28(23-13-5-1-6-14-23)27-21-31(22-30-27)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,28,32H
InChIKeyLMVLGPNXQKDJHR-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.80
Rot. Bonds6

About phenyl-(1-tritylimidazol-4-yl)methanol

phenyl-(1-tritylimidazol-4-yl)methanol (PubChem CID 15082943) has the molecular formula C29H24N2O and a molecular weight of 416.52 g/mol. Its IUPAC name is phenyl-(1-tritylimidazol-4-yl)methanol.

Molecular Properties

Compound Namephenyl-(1-tritylimidazol-4-yl)methanol
PubChem CID15082943
Molecular FormulaC29H24N2O
Molecular Weight416.52 g/mol
Exact Mass416.19
IUPAC Namephenyl-(1-tritylimidazol-4-yl)methanol
SMILESOC(c1ccccc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C29H24N2O/c32-28(23-13-5-1-6-14-23)27-21-31(22-30-27)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,28,32H
InChIKeyLMVLGPNXQKDJHR-UHFFFAOYSA-N
XLogP5.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 phenyl-(1-tritylimidazol-4-yl)methanol?
The IUPAC name of phenyl-(1-tritylimidazol-4-yl)methanol (CID 15082943) is phenyl-(1-tritylimidazol-4-yl)methanol.
What is the SMILES notation for phenyl-(1-tritylimidazol-4-yl)methanol?
The canonical SMILES for phenyl-(1-tritylimidazol-4-yl)methanol is OC(c1ccccc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of phenyl-(1-tritylimidazol-4-yl)methanol?
The InChIKey is LMVLGPNXQKDJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O/c32-28(23-13-5-1-6-14-23)27-21-31(22-30-27)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,28,32H.
What are the key properties of phenyl-(1-tritylimidazol-4-yl)methanol?
phenyl-(1-tritylimidazol-4-yl)methanol has a molecular weight of 416.52 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-tritylimidazol-4-yl)methanol is sourced from PubChem (CID 15082943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).