1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole

C23H18FN — CID 138977605

IUPAC1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole
SMILESFc1ccc(-c2cc(-c3ccccc3)n(Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H18FN/c24-22-13-11-19(12-14-22)21-15-23(20-9-5-2-6-10-20)25(17-21)16-18-7-3-1-4-8-18/h1-15,17H,16H2
InChIKeyOGCUHVLPOIOINB-UHFFFAOYSA-N
MW327.40 g/mol
LogP6.01
Rot. Bonds4

About 1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole

1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole (PubChem CID 138977605) has the molecular formula C23H18FN and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole
PubChem CID138977605
Molecular FormulaC23H18FN
Molecular Weight327.40 g/mol
Exact Mass327.14
IUPAC Name1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole
SMILESFc1ccc(-c2cc(-c3ccccc3)n(Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H18FN/c24-22-13-11-19(12-14-22)21-15-23(20-9-5-2-6-10-20)25(17-21)16-18-7-3-1-4-8-18/h1-15,17H,16H2
InChIKeyOGCUHVLPOIOINB-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

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Triprolidine Hydrochloride Anhydrous
CID 5702129
2-(3-Phenylpropyl)Pyridine
CID 459494
2-Phenylpyridine
CID 13887
4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
2-(Phenylmethyl)pyridine
CID 7581
3-Benzhydrylpyridine
CID 77251
4-Benzhydrylpyridine
CID 77252
Triprolidine hydrochloride monohydrate
CID 5284472
1-Phenyl-1H-indole
CID 182029

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole (CID 138977605) is 1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole is Fc1ccc(-c2cc(-c3ccccc3)n(Cc3ccccc3)c2)cc1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole?
The InChIKey is OGCUHVLPOIOINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN/c24-22-13-11-19(12-14-22)21-15-23(20-9-5-2-6-10-20)25(17-21)16-18-7-3-1-4-8-18/h1-15,17H,16H2.
What are the key properties of 1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole?
1-benzyl-4-(4-fluorophenyl)-2-phenylpyrrole 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-4-(4-fluorophenyl)-2-phenylpyrrole is sourced from PubChem (CID 138977605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).