1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole

C22H18ClN — CID 11484354

IUPAC1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole
SMILESClc1ccc(N2CC(c3ccccc3)=C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H18ClN/c23-19-11-13-20(14-12-19)24-15-21(17-7-3-1-4-8-17)22(16-24)18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyISOXCTFDLZAKRP-UHFFFAOYSA-N
MW331.85 g/mol
LogP5.77
Rot. Bonds3

About 1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole

1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole (PubChem CID 11484354) has the molecular formula C22H18ClN and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole
PubChem CID11484354
Molecular FormulaC22H18ClN
Molecular Weight331.85 g/mol
Exact Mass331.11
IUPAC Name1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole
SMILESClc1ccc(N2CC(c3ccccc3)=C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H18ClN/c23-19-11-13-20(14-12-19)24-15-21(17-7-3-1-4-8-17)22(16-24)18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyISOXCTFDLZAKRP-UHFFFAOYSA-N
XLogP5.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.85
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole?
The IUPAC name of 1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole (CID 11484354) is 1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole?
The canonical SMILES for 1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole is Clc1ccc(N2CC(c3ccccc3)=C(c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole?
The InChIKey is ISOXCTFDLZAKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN/c23-19-11-13-20(14-12-19)24-15-21(17-7-3-1-4-8-17)22(16-24)18-9-5-2-6-10-18/h1-14H,15-16H2.
What are the key properties of 1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole?
1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole has a molecular weight of 331.85 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole is sourced from PubChem (CID 11484354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).