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

C34H25Br2FN2 — CID 158040621

IUPAC2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole
SMILESBrC(Br)=Cc1ccccc1Nc1ccccc1.Fc1ccc(-c2cc3ccccc3n2-c2ccccc2)cc1
InChIInChI=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
InChIKeyFIHREZWQZHUKSX-UHFFFAOYSA-N
MW640.39 g/mol
LogP10.95
Rot. Bonds5

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 Name2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole
PubChem CID158040621
Molecular FormulaC34H25Br2FN2
Molecular Weight640.39 g/mol
Exact Mass638.04
IUPAC Name2-(2,2-dibromoethenyl)-N-phenylaniline;2-(4-fluorophenyl)-1-phenylindole
SMILESBrC(Br)=Cc1ccccc1Nc1ccccc1.Fc1ccc(-c2cc3ccccc3n2-c2ccccc2)cc1
InChIInChI=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
InChIKeyFIHREZWQZHUKSX-UHFFFAOYSA-N
XLogP10.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.39
LogP ≤ 510.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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).