2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

C29H24F2N4O — CID 67879726

About 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 67879726) has the molecular formula C29H24F2N4O and a molecular weight of 482.53 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

• Compound Name: 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
• PubChem CID: 67879726
• Molecular Formula: C29H24F2N4O
• Molecular Weight: 482.53 g/mol
• Exact Mass: 482.19
• IUPAC Name: 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
• SMILES: OC(Cn1ccc(C=Cc2ccc(-c3ccccc3)cc2)c1)(Cn1cncn1)c1ccc(F)cc1F
• InChI: InChI=1S/C29H24F2N4O/c30-26-12-13-27(28(31)16-26)29(36,19-35-21-32-20-33-35)18-34-15-14-23(17-34)7-6-22-8-10-25(11-9-22)24-4-2-1-3-5-24/h1-17,20-21,36H,18-19H2
• InChIKey: SLYKUQMIZMRFAS-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.53
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?

The IUPAC name of 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 67879726) is 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol.

What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?

The canonical SMILES for 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(Cn1ccc(C=Cc2ccc(-c3ccccc3)cc2)c1)(Cn1cncn1)c1ccc(F)cc1F.

What is the InChIKey of 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?

The InChIKey is SLYKUQMIZMRFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N4O/c30-26-12-13-27(28(31)16-26)29(36,19-35-21-32-20-33-35)18-34-15-14-23(17-34)7-6-22-8-10-25(11-9-22)24-4-2-1-3-5-24/h1-17,20-21,36H,18-19H2.

What are the key properties of 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?

2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 482.53 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorophenyl)-1-[3-[2-(4-phenylphenyl)ethenyl]pyrrol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 67879726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).