(4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum

C88H70B2Br2IN4O9Pt- — CID 157200820

About (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum

(4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum (PubChem CID 157200820) has the molecular formula C88H70B2Br2IN4O9Pt- and a molecular weight of 1830.96 g/mol. Its IUPAC name is (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum.

Molecular Properties

• Compound Name: (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum
• PubChem CID: 157200820
• Molecular Formula: C88H70B2Br2IN4O9Pt-
• Molecular Weight: 1830.96 g/mol
• Exact Mass: 1828.24
• IUPAC Name: (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum
• SMILES: Brc1ccc(-c2ccccc2)nc1.Brc1ccc(I)nc1.CC(=O)C=C(C)O.O=C(c1ccccc1)c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.O=C(c1ccccc1)c1ccc(-c2ccc(-c3ccccc3)nc2)cc1.O=C(c1ccccc1)c1ccc(B(O)O)cc1.OB(O)c1ccccc1.[Pt]
• InChI: InChI=1S/C24H17NO.C24H16NO.C13H11BO3.C11H8BrN.C6H7BO2.C5H3BrIN.C5H8O2.Pt/c2*26-24(20-9-5-2-6-10-20)21-13-11-18(12-14-21)22-15-16-23(25-17-22)19-7-3-1-4-8-19;15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6;6-4-1-2-5(7)8-3-4;1-4(6)3-5(2)7;/h1-17H;1-7,9-17H;1-9,16-17H;1-8H;1-5,8-9H;1-3H;3,6H,1-2H3;/q;-1
• InChIKey: RDTSEPCIQUDKNQ-UHFFFAOYSA-N
• XLogP: 18.05
• TPSA: 220.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1830.96
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', '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 (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum?

The IUPAC name of (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum (CID 157200820) is (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum.

What is the SMILES notation for (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum?

The canonical SMILES for (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum is Brc1ccc(-c2ccccc2)nc1.Brc1ccc(I)nc1.CC(=O)C=C(C)O.O=C(c1ccccc1)c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.O=C(c1ccccc1)c1ccc(-c2ccc(-c3ccccc3)nc2)cc1.O=C(c1ccccc1)c1ccc(B(O)O)cc1.OB(O)c1ccccc1.[Pt].

What is the InChIKey of (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum?

The InChIKey is RDTSEPCIQUDKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO.C24H16NO.C13H11BO3.C11H8BrN.C6H7BO2.C5H3BrIN.C5H8O2.Pt/c2*26-24(20-9-5-2-6-10-20)21-13-11-18(12-14-21)22-15-16-23(25-17-22)19-7-3-1-4-8-19;15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6;6-4-1-2-5(7)8-3-4;1-4(6)3-5(2)7;/h1-17H;1-7,9-17H;1-9,16-17H;1-8H;1-5,8-9H;1-3H;3,6H,1-2H3;/q;-1;;;;;;.

What are the key properties of (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum?

(4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum has a molecular weight of 1830.96 g/mol, XLogP of 18.05, 14 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (4-benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum is sourced from PubChem (CID 157200820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).