1-benzyl-2-fluoro-3,5-diphenylpyrrole

C23H18FN — CID 134836340

IUPAC1-benzyl-2-fluoro-3,5-diphenylpyrrole
SMILESFc1c(-c2ccccc2)cc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C23H18FN/c24-23-21(19-12-6-2-7-13-19)16-22(20-14-8-3-9-15-20)25(23)17-18-10-4-1-5-11-18/h1-16H,17H2
InChIKeyQNURDJWOHDGJPT-UHFFFAOYSA-N
MW327.40 g/mol
LogP6.01
Rot. Bonds4

About 1-benzyl-2-fluoro-3,5-diphenylpyrrole

1-benzyl-2-fluoro-3,5-diphenylpyrrole (PubChem CID 134836340) has the molecular formula C23H18FN and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-benzyl-2-fluoro-3,5-diphenylpyrrole.

Molecular Properties

Compound Name1-benzyl-2-fluoro-3,5-diphenylpyrrole
PubChem CID134836340
Molecular FormulaC23H18FN
Molecular Weight327.40 g/mol
Exact Mass327.14
IUPAC Name1-benzyl-2-fluoro-3,5-diphenylpyrrole
SMILESFc1c(-c2ccccc2)cc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C23H18FN/c24-23-21(19-12-6-2-7-13-19)16-22(20-14-8-3-9-15-20)25(23)17-18-10-4-1-5-11-18/h1-16H,17H2
InChIKeyQNURDJWOHDGJPT-UHFFFAOYSA-N
XLogP6.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.40
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-2-phenylquinoline-4-thione
CID 11381842
1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole
CID 174510723
1-benzyl-7-methyl-2-phenylindole
CID 155931625
3-benzyl-4-phenyl-1,3-thiazole-2-thione
CID 4601338
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate
CID 10426272
1-benzyl-2-phenylindole-5-carbonitrile
CID 134943475
1-benzyl-3-[(chloroamino)methyl]-6-phenyl-4-(trifluoromethyl)pyridin-2-one
CID 88911436
3-(3,4-difluorophenyl)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenylpyrrole-2-carboxamide
CID 174737257
1-benzyl-2,5-dichloropyrrole
CID 12713084
1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 53323115
1-benzyl-3,5-bis(4-fluorophenyl)pyrazole
CID 19587500

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-fluoro-3,5-diphenylpyrrole?
The IUPAC name of 1-benzyl-2-fluoro-3,5-diphenylpyrrole (CID 134836340) is 1-benzyl-2-fluoro-3,5-diphenylpyrrole.
What is the SMILES notation for 1-benzyl-2-fluoro-3,5-diphenylpyrrole?
The canonical SMILES for 1-benzyl-2-fluoro-3,5-diphenylpyrrole is Fc1c(-c2ccccc2)cc(-c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-fluoro-3,5-diphenylpyrrole?
The InChIKey is QNURDJWOHDGJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN/c24-23-21(19-12-6-2-7-13-19)16-22(20-14-8-3-9-15-20)25(23)17-18-10-4-1-5-11-18/h1-16H,17H2.
What are the key properties of 1-benzyl-2-fluoro-3,5-diphenylpyrrole?
1-benzyl-2-fluoro-3,5-diphenylpyrrole has a molecular weight of 327.40 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-fluoro-3,5-diphenylpyrrole is sourced from PubChem (CID 134836340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).