benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)

C164H113BBr5N17O2Pt — CID 159480955

About benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)

benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+) (PubChem CID 159480955) has the molecular formula C164H113BBr5N17O2Pt and a molecular weight of 2959.23 g/mol. Its IUPAC name is benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+).

Molecular Properties

• Compound Name: benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)
• PubChem CID: 159480955
• Molecular Formula: C164H113BBr5N17O2Pt
• Molecular Weight: 2959.23 g/mol
• Exact Mass: 2952.49
• IUPAC Name: benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)
• SMILES: Brc1cc(-c2ccccc2)ccn1.N#Cc1ccccc1.Nc1ccccc1-c1ccccc1.[C-]#[N+]c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(N(c2[c-]c(-c3cc(-c4ccccc4)ccn3)cc(C#N)c2)c2ccccc2-c2ccccc2)c1.[C-]#[N+]c1cc(-c2cc(-c3ccccc3)ccn2)cc(N(c2cc(C#N)cc(-c3cc(-c4ccccc4)ccn3)c2)c2ccccc2-c2ccccc2)c1.[C-]#[N+]c1cc(Br)cc(-c2cc(-c3ccccc3)ccn2)c1.[C-]#[N+]c1cc(Br)cc(B2OC(C)(C)C(C)(C)O2)c1.[C-]#[N+]c1cc(Br)cc(Br)c1.[Pt+2]
• InChI: InChI=1S/C48H31N5.C48H29N5.C18H11BrN2.C13H15BBrNO2.C12H11N.C11H8BrN.C7H3Br2N.C7H5N.Pt/c2*1-50-42-27-41(47-31-39(22-24-52-47)36-15-7-3-8-16-36)29-44(32-42)53(48-20-12-11-19-45(48)37-17-9-4-10-18-37)43-26-34(33-49)25-40(28-43)46-30-38(21-23-51-46)35-13-5-2-6-14-35;1-20-17-10-15(9-16(19)12-17)18-11-14(7-8-21-18)13-5-3-2-4-6-13;1-12(2)13(3,4)18-14(17-12)9-6-10(15)8-11(7-9)16-5;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;1-10-7-3-5(8)2-6(9)4-7;8-6-7-4-2-1-3-5-7;/h2-32H;2-27,30-32H;2-12H;6-8H,1-4H3;1-9H,13H2;1-8H;2-4H;1-5H;/q;-2;;;;;;;+2
• InChIKey: WOWJKJOTDZVVDB-UHFFFAOYSA-N
• XLogP: 45.80
• TPSA: 221.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2959.23
LogP ≤ 5	45.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)?

The IUPAC name of benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+) (CID 159480955) is benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-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;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)?

The canonical SMILES for benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+) is Brc1cc(-c2ccccc2)ccn1.N#Cc1ccccc1.Nc1ccccc1-c1ccccc1.[C-]#[N+]c1cc(-c2cc(-c3ccccc3)ccn2)[c-]c(N(c2[c-]c(-c3cc(-c4ccccc4)ccn3)cc(C#N)c2)c2ccccc2-c2ccccc2)c1.[C-]#[N+]c1cc(-c2cc(-c3ccccc3)ccn2)cc(N(c2cc(C#N)cc(-c3cc(-c4ccccc4)ccn3)c2)c2ccccc2-c2ccccc2)c1.[C-]#[N+]c1cc(Br)cc(-c2cc(-c3ccccc3)ccn2)c1.[C-]#[N+]c1cc(Br)cc(B2OC(C)(C)C(C)(C)O2)c1.[C-]#[N+]c1cc(Br)cc(Br)c1.[Pt+2].

What is the InChIKey of benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)?

The InChIKey is WOWJKJOTDZVVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5.C48H29N5.C18H11BrN2.C13H15BBrNO2.C12H11N.C11H8BrN.C7H3Br2N.C7H5N.Pt/c2*1-50-42-27-41(47-31-39(22-24-52-47)36-15-7-3-8-16-36)29-44(32-42)53(48-20-12-11-19-45(48)37-17-9-4-10-18-37)43-26-34(33-49)25-40(28-43)46-30-38(21-23-51-46)35-13-5-2-6-14-35;1-20-17-10-15(9-16(19)12-17)18-11-14(7-8-21-18)13-5-3-2-4-6-13;1-12(2)13(3,4)18-14(17-12)9-6-10(15)8-11(7-9)16-5;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;1-10-7-3-5(8)2-6(9)4-7;8-6-7-4-2-1-3-5-7;/h2-32H;2-27,30-32H;2-12H;6-8H,1-4H3;1-9H,13H2;1-8H;2-4H;1-5H;/q;-2;;;;;;;+2.

What are the key properties of benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+)?

benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+) has a molecular weight of 2959.23 g/mol, XLogP of 45.80, 21 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for benzonitrile;2-(3-bromo-5-isocyanophenyl)-4-phenylpyridine;2-(3-bromo-5-isocyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;1,3-dibromo-5-isocyanobenzene;3-(N-[3-isocyano-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-isocyano-5-(4-phenyl-2-pyridinyl)phenyl]-2-phenylanilino)-5-(4-phenyl-2-pyridinyl)benzonitrile;2-phenylaniline;platinum(2+) is sourced from PubChem (CID 159480955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).