1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol

C38H33FN2O — CID 18668533

IUPAC1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCC(C)C(O)(c1cccc(-c2ccc(F)cc2)c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C38H33FN2O/c1-28(2)38(42,34-20-12-13-30(25-34)29-21-23-35(39)24-22-29)36-26-41(27-40-36)37(31-14-6-3-7-15-31,32-16-8-4-9-17-32)33-18-10-5-11-19-33/h3-28,42H,1-2H3
InChIKeyBLEQCGBHQKFUMR-UHFFFAOYSA-N
MW552.69 g/mol
LogP8.42
Rot. Bonds8

About 1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol

1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol (PubChem CID 18668533) has the molecular formula C38H33FN2O and a molecular weight of 552.69 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
PubChem CID18668533
Molecular FormulaC38H33FN2O
Molecular Weight552.69 g/mol
Exact Mass552.26
IUPAC Name1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCC(C)C(O)(c1cccc(-c2ccc(F)cc2)c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C38H33FN2O/c1-28(2)38(42,34-20-12-13-30(25-34)29-21-23-35(39)24-22-29)36-26-41(27-40-36)37(31-14-6-3-7-15-31,32-16-8-4-9-17-32)33-18-10-5-11-19-33/h3-28,42H,1-2H3
InChIKeyBLEQCGBHQKFUMR-UHFFFAOYSA-N
XLogP8.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.69
LogP ≤ 58.42
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 1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The IUPAC name of 1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol (CID 18668533) is 1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol is CC(C)C(O)(c1cccc(-c2ccc(F)cc2)c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The InChIKey is BLEQCGBHQKFUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33FN2O/c1-28(2)38(42,34-20-12-13-30(25-34)29-21-23-35(39)24-22-29)36-26-41(27-40-36)37(31-14-6-3-7-15-31,32-16-8-4-9-17-32)33-18-10-5-11-19-33/h3-28,42H,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol has a molecular weight of 552.69 g/mol, XLogP of 8.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 18668533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).