benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+)

C155H91BBr3F14IN16O2Pt — CID 160878219

About benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+)

benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+) (PubChem CID 160878219) has the molecular formula C155H91BBr3F14IN16O2Pt and a molecular weight of 3048.02 g/mol. Its IUPAC name is benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+).

Molecular Properties

• Compound Name: benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+)
• PubChem CID: 160878219
• Molecular Formula: C155H91BBr3F14IN16O2Pt
• Molecular Weight: 3048.02 g/mol
• Exact Mass: 3043.36
• IUPAC Name: benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+)
• SMILES: Brc1cc(I)ccn1.Fc1ccc(-c2ccnc(Br)c2)c(F)c1.N#Cc1ccccc1.Nc1ccccc1-c1ccccc1.OB(O)c1ccc(F)cc1F.[C-]#[N+]c1cc(-c2cc(-c3ccc(F)cc3F)ccn2)[c-]c(N(c2[c-]c(-c3cc(-c4ccc(F)cc4F)ccn3)cc(C#N)c2)c2ccccc2-c2ccccc2)c1.[C-]#[N+]c1cc(-c2cc(-c3ccc(F)cc3F)ccn2)cc(N(c2cc(C#N)cc(-c3cc(-c4ccc(F)cc4F)ccn3)c2)c2ccccc2-c2ccccc2)c1.[C-]#[N+]c1cc(Br)cc(-c2cc(-c3ccc(F)cc3F)ccn2)c1.[Pt+2]
• InChI: InChI=1S/C48H27F4N5.C48H25F4N5.C18H9BrF2N2.C12H11N.C11H6BrF2N.C7H5N.C6H5BF2O2.C5H3BrIN.Pt/c2*1-54-38-21-35(47-25-33(16-18-56-47)42-14-12-37(50)27-45(42)52)23-40(28-38)57(48-10-6-5-9-43(48)31-7-3-2-4-8-31)39-20-30(29-53)19-34(22-39)46-24-32(15-17-55-46)41-13-11-36(49)26-44(41)51;1-22-15-7-12(6-13(19)9-15)18-8-11(4-5-23-18)16-3-2-14(20)10-17(16)21;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;12-11-5-7(3-4-15-11)9-2-1-8(13)6-10(9)14;8-6-7-4-2-1-3-5-7;8-4-1-2-5(7(10)11)6(9)3-4;6-5-3-4(7)1-2-8-5;/h2-28H;2-21,24-28H;2-10H;1-9H,13H2;1-6H;1-5H;1-3,10-11H;1-3H;/q;-2;;;;;;;+2
• InChIKey: GWSUMGQZTDGREM-UHFFFAOYSA-N
• XLogP: 42.50
• TPSA: 247.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3048.02
LogP ≤ 5	42.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+)?

The IUPAC name of benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+) (CID 160878219) is benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+).

What is the SMILES notation for benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+)?

The canonical SMILES for benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+) is Brc1cc(I)ccn1.Fc1ccc(-c2ccnc(Br)c2)c(F)c1.N#Cc1ccccc1.Nc1ccccc1-c1ccccc1.OB(O)c1ccc(F)cc1F.[C-]#[N+]c1cc(-c2cc(-c3ccc(F)cc3F)ccn2)[c-]c(N(c2[c-]c(-c3cc(-c4ccc(F)cc4F)ccn3)cc(C#N)c2)c2ccccc2-c2ccccc2)c1.[C-]#[N+]c1cc(-c2cc(-c3ccc(F)cc3F)ccn2)cc(N(c2cc(C#N)cc(-c3cc(-c4ccc(F)cc4F)ccn3)c2)c2ccccc2-c2ccccc2)c1.[C-]#[N+]c1cc(Br)cc(-c2cc(-c3ccc(F)cc3F)ccn2)c1.[Pt+2].

What is the InChIKey of benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+)?

The InChIKey is GWSUMGQZTDGREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27F4N5.C48H25F4N5.C18H9BrF2N2.C12H11N.C11H6BrF2N.C7H5N.C6H5BF2O2.C5H3BrIN.Pt/c2*1-54-38-21-35(47-25-33(16-18-56-47)42-14-12-37(50)27-45(42)52)23-40(28-38)57(48-10-6-5-9-43(48)31-7-3-2-4-8-31)39-20-30(29-53)19-34(22-39)46-24-32(15-17-55-46)41-13-11-36(49)26-44(41)51;1-22-15-7-12(6-13(19)9-15)18-8-11(4-5-23-18)16-3-2-14(20)10-17(16)21;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;12-11-5-7(3-4-15-11)9-2-1-8(13)6-10(9)14;8-6-7-4-2-1-3-5-7;8-4-1-2-5(7(10)11)6(9)3-4;6-5-3-4(7)1-2-8-5;/h2-28H;2-21,24-28H;2-10H;1-9H,13H2;1-6H;1-5H;1-3,10-11H;1-3H;/q;-2;;;;;;;+2.

What are the key properties of benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+)?

benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+) has a molecular weight of 3048.02 g/mol, XLogP of 42.50, 21 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for benzonitrile;2-bromo-4-(2,4-difluorophenyl)pyridine;2-bromo-4-iodopyridine;2-(3-bromo-5-isocyanophenyl)-4-(2,4-difluorophenyl)pyridine;(2,4-difluorophenyl)boronic acid;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanobenzene-2-id-1-yl]-2-phenylanilino)benzene-4-ide-1-carbonitrile;3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-(N-[3-[4-(2,4-difluorophenyl)-2-pyridinyl]-5-isocyanophenyl]-2-phenylanilino)benzonitrile;2-phenylaniline;platinum(2+) is sourced from PubChem (CID 160878219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).