2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole

C₃₄H₂₅Br₂FN₂ — CID 158040621

About 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole

2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole (PubChem CID 158040621) has the molecular formula C₃₄H₂₅Br₂FN₂ and a molecular weight of 640.39 g/mol. Its IUPAC name is 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole.

Molecular Properties

• Compound Name: 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole
• PubChem CID: 158040621
• Molecular Formula: C₃₄H₂₅Br₂FN₂
• Molecular Weight: 640.39 g/mol
• Exact Mass: 638.04
• IUPAC Name: 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole
• SMILES: BrC(Br)=Cc1ccccc1Nc1ccccc1.Fc1ccc(-c2cc3ccccc3n2-c2ccccc2)cc1
• InChI: InChI=1S/C20H14FN.C14H11Br2N/c21-17-12-10-15(11-13-17)20-14-16-6-4-5-9-19(16)22(20)18-7-2-1-3-8-18;15-14(16)10-11-6-4-5-9-13(11)17-12-7-2-1-3-8-12/h1-14H;1-10,17H
• InChIKey: FIHREZWQZHUKSX-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 16.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.39
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole?

The IUPAC name of 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole (CID 158040621) is 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole.

What is the SMILES notation for 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole?

The canonical SMILES for 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole is BrC(Br)=Cc1ccccc1Nc1ccccc1.Fc1ccc(-c2cc3ccccc3n2-c2ccccc2)cc1.

What is the InChIKey of 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole?

The InChIKey is FIHREZWQZHUKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN.C14H11Br2N/c21-17-12-10-15(11-13-17)20-14-16-6-4-5-9-19(16)22(20)18-7-2-1-3-8-18;15-14(16)10-11-6-4-5-9-13(11)17-12-7-2-1-3-8-12/h1-14H;1-10,17H.

What are the key properties of 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole?

2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole has a molecular weight of 640.39 g/mol, XLogP of 10.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole is sourced from PubChem (CID 158040621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158040621 — identifiers, structure, computed properties (public domain)

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