4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine

C37H33F2N — CID 57322945

IUPAC4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine
SMILESFc1ccc(C(c2ccc(F)cc2)C2CCN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C37H33F2N/c38-34-20-16-28(17-21-34)36(29-18-22-35(39)23-19-29)30-24-26-40(27-25-30)37(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-23,30,36H,24-27H2
InChIKeyXGMAHROPMVMDGH-UHFFFAOYSA-N
MW529.67 g/mol
LogP8.80
Rot. Bonds7

About 4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine

4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine (PubChem CID 57322945) has the molecular formula C37H33F2N and a molecular weight of 529.67 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine
PubChem CID57322945
Molecular FormulaC37H33F2N
Molecular Weight529.67 g/mol
Exact Mass529.26
IUPAC Name4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine
SMILESFc1ccc(C(c2ccc(F)cc2)C2CCN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C37H33F2N/c38-34-20-16-28(17-21-34)36(29-18-22-35(39)23-19-29)30-24-26-40(27-25-30)37(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-23,30,36H,24-27H2
InChIKeyXGMAHROPMVMDGH-UHFFFAOYSA-N
XLogP8.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.67
LogP ≤ 58.80
H-Bond Donors ≤ 50
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 4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine?
The IUPAC name of 4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine (CID 57322945) is 4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine?
The canonical SMILES for 4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine is Fc1ccc(C(c2ccc(F)cc2)C2CCN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine?
The InChIKey is XGMAHROPMVMDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33F2N/c38-34-20-16-28(17-21-34)36(29-18-22-35(39)23-19-29)30-24-26-40(27-25-30)37(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-23,30,36H,24-27H2.
What are the key properties of 4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine?
4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine has a molecular weight of 529.67 g/mol, XLogP of 8.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methyl]-1-tritylpiperidine is sourced from PubChem (CID 57322945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).