benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)

C176H121BBr3F5N14O2Pt — CID 157221430

About benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)

benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+) (PubChem CID 157221430) has the molecular formula C176H121BBr3F5N14O2Pt and a molecular weight of 3004.59 g/mol. Its IUPAC name is benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+).

Molecular Properties

• Compound Name: benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)
• PubChem CID: 157221430
• Molecular Formula: C176H121BBr3F5N14O2Pt
• Molecular Weight: 3004.59 g/mol
• Exact Mass: 2999.70
• IUPAC Name: benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)
• SMILES: Brc1cc(-c2ccccc2)ccn1.Fc1cc(Br)cc(-c2cc(-c3ccccc3)ccn2)c1.Fc1cc(Nc2ccccc2-c2ccccc2)cc(-c2cc(-c3ccccc3)ccn2)c1.N#Cc1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(N(c2[c-]c(-c3cc(-c4ccccc4)ccn3)cc(F)c2)c2ccccc2-c2ccccc2)c1.N#Cc1cc(-c2cc(-c3ccccc3)ccn2)cc(N(c2cc(F)cc(-c3cc(-c4ccccc4)ccn3)c2)c2ccccc2-c2ccccc2)c1.N#Cc1ccccc1.Nc1ccccc1-c1ccccc1.OB(O)c1cc(F)cc(Br)c1.[Pt+2]
• InChI: InChI=1S/C47H31FN4.C47H29FN4.C29H21FN2.C17H11BrFN.C12H11N.C11H8BrN.C7H5N.C6H5BBrFO2.Pt/c2*48-41-26-40(46-30-38(21-23-51-46)35-14-6-2-7-15-35)28-43(31-41)52(47-19-11-10-18-44(47)36-16-8-3-9-17-36)42-25-33(32-49)24-39(27-42)45-29-37(20-22-50-45)34-12-4-1-5-13-34;30-25-17-24(29-19-23(15-16-31-29)21-9-3-1-4-10-21)18-26(20-25)32-28-14-8-7-13-27(28)22-11-5-2-6-12-22;18-15-8-14(9-16(19)11-15)17-10-13(6-7-20-17)12-4-2-1-3-5-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;8-6-7-4-2-1-3-5-7;8-5-1-4(7(10)11)2-6(9)3-5;/h1-31H;1-26,29-31H;1-20,32H;1-11H;1-9H,13H2;1-8H;1-5H;1-3,10-11H;/q;-2;;;;;;;+2
• InChIKey: DCIFMPAWNQRQLY-UHFFFAOYSA-N
• XLogP: 45.74
• TPSA: 246.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3004.59
LogP ≤ 5	45.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)?

The IUPAC name of benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+) (CID 157221430) is benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+).

What is the SMILES notation for benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)?

The canonical SMILES for benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+) is Brc1cc(-c2ccccc2)ccn1.Fc1cc(Br)cc(-c2cc(-c3ccccc3)ccn2)c1.Fc1cc(Nc2ccccc2-c2ccccc2)cc(-c2cc(-c3ccccc3)ccn2)c1.N#Cc1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(N(c2[c-]c(-c3cc(-c4ccccc4)ccn3)cc(F)c2)c2ccccc2-c2ccccc2)c1.N#Cc1cc(-c2cc(-c3ccccc3)ccn2)cc(N(c2cc(F)cc(-c3cc(-c4ccccc4)ccn3)c2)c2ccccc2-c2ccccc2)c1.N#Cc1ccccc1.Nc1ccccc1-c1ccccc1.OB(O)c1cc(F)cc(Br)c1.[Pt+2].

What is the InChIKey of benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)?

The InChIKey is DCIFMPAWNQRQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31FN4.C47H29FN4.C29H21FN2.C17H11BrFN.C12H11N.C11H8BrN.C7H5N.C6H5BBrFO2.Pt/c2*48-41-26-40(46-30-38(21-23-51-46)35-14-6-2-7-15-35)28-43(31-41)52(47-19-11-10-18-44(47)36-16-8-3-9-17-36)42-25-33(32-49)24-39(27-42)45-29-37(20-22-50-45)34-12-4-1-5-13-34;30-25-17-24(29-19-23(15-16-31-29)21-9-3-1-4-10-21)18-26(20-25)32-28-14-8-7-13-27(28)22-11-5-2-6-12-22;18-15-8-14(9-16(19)11-15)17-10-13(6-7-20-17)12-4-2-1-3-5-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;8-6-7-4-2-1-3-5-7;8-5-1-4(7(10)11)2-6(9)3-5;/h1-31H;1-26,29-31H;1-20,32H;1-11H;1-9H,13H2;1-8H;1-5H;1-3,10-11H;/q;-2;;;;;;;+2.

What are the key properties of benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)?

benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+) has a molecular weight of 3004.59 g/mol, XLogP of 45.74, 26 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for benzonitrile;(3-bromo-5-fluorophenyl)boronic acid;2-(3-bromo-5-fluorophenyl)-4-phenylpyridine;2-bromo-4-phenylpyridine;3-fluoro-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)aniline;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzene-4-ide-1-carbonitrile;3-(N-[3-fluoro-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+) is sourced from PubChem (CID 157221430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).