4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole

C36H28F2N2 — CID 14736361

IUPAC4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole
SMILESFc1ccc(C(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c2ccccc2F)cc1
InChIInChI=1S/C36H28F2N2/c37-31-22-20-27(21-23-31)34(33-18-10-11-19-35(33)38)24-32-25-40(26-39-32)36(28-12-4-1-5-13-28,29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-23,25-26,34H,24H2
InChIKeyCKOIWSSSXHLVLD-UHFFFAOYSA-N
MW526.63 g/mol
LogP8.38
Rot. Bonds8

About 4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole

4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole (PubChem CID 14736361) has the molecular formula C36H28F2N2 and a molecular weight of 526.63 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole
PubChem CID14736361
Molecular FormulaC36H28F2N2
Molecular Weight526.63 g/mol
Exact Mass526.22
IUPAC Name4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole
SMILESFc1ccc(C(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c2ccccc2F)cc1
InChIInChI=1S/C36H28F2N2/c37-31-22-20-27(21-23-31)34(33-18-10-11-19-35(33)38)24-32-25-40(26-39-32)36(28-12-4-1-5-13-28,29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-23,25-26,34H,24H2
InChIKeyCKOIWSSSXHLVLD-UHFFFAOYSA-N
XLogP8.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.63
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole?
The IUPAC name of 4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole (CID 14736361) is 4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole?
The canonical SMILES for 4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole is Fc1ccc(C(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c2ccccc2F)cc1.
What is the InChIKey of 4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole?
The InChIKey is CKOIWSSSXHLVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28F2N2/c37-31-22-20-27(21-23-31)34(33-18-10-11-19-35(33)38)24-32-25-40(26-39-32)36(28-12-4-1-5-13-28,29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-23,25-26,34H,24H2.
What are the key properties of 4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole?
4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole has a molecular weight of 526.63 g/mol, XLogP of 8.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-2-(4-fluorophenyl)ethyl]-1-tritylimidazole is sourced from PubChem (CID 14736361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).