benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane)

C92H89B2Br7O4Pd4 — CID 161137155

About benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane)

benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane) (PubChem CID 161137155) has the molecular formula C92H89B2Br7O4Pd4 and a molecular weight of 2265.35 g/mol. Its IUPAC name is benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane).

Molecular Properties

• Compound Name: benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane)
• PubChem CID: 161137155
• Molecular Formula: C92H89B2Br7O4Pd4
• Molecular Weight: 2265.35 g/mol
• Exact Mass: 2255.74
• IUPAC Name: benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane)
• SMILES: Br[Pd+].Br[Pd+].Brc1cc[c-]cc1.Brc1cc[c-]cc1.Brc1ccc(-c2ccccc2)cc1.Brc1ccc(Br)cc1.CC.CC1(C)OB(c2ccccc2)OC1(C)C.CC1(C)OB(c2ccccc2)OC1(C)C.[Pd+2].[Pd].[c-]1ccc(-c2ccccc2)cc1.[c-]1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C18H14.2C12H17BO2.C12H9Br.C12H9.C6H4Br2.2C6H4Br.C6H5.C2H6.2BrH.4Pd/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;2*1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-5-1-2-6(8)4-3-5;2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2;;;;;;/h1-14H;2*5-9H,1-4H3;1-9H;1,3-10H;1-4H;2*2-5H;1-5H;1-2H3;2*1H;;;;/q;;;;-1;;3*-1;;;;;3*+2/p-2
• InChIKey: BZICIYVMPBWDQI-UHFFFAOYSA-L
• XLogP: 28.17
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2265.35
LogP ≤ 5	28.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane)?

The IUPAC name of benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane) (CID 161137155) is benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane).

What is the SMILES notation for benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane)?

The canonical SMILES for benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane) is Br[Pd+].Br[Pd+].Brc1cc[c-]cc1.Brc1cc[c-]cc1.Brc1ccc(-c2ccccc2)cc1.Brc1ccc(Br)cc1.CC.CC1(C)OB(c2ccccc2)OC1(C)C.CC1(C)OB(c2ccccc2)OC1(C)C.[Pd+2].[Pd].[c-]1ccc(-c2ccccc2)cc1.[c-]1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.

What is the InChIKey of benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane)?

The InChIKey is BZICIYVMPBWDQI-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H14.2C12H17BO2.C12H9Br.C12H9.C6H4Br2.2C6H4Br.C6H5.C2H6.2BrH.4Pd/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;2*1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-5-1-2-6(8)4-3-5;2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2;;;;;;/h1-14H;2*5-9H,1-4H3;1-9H;1,3-10H;1-4H;2*2-5H;1-5H;1-2H3;2*1H;;;;/q;;;;-1;;3*-1;;;;;3*+2/p-2.

What are the key properties of benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane)?

benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane) has a molecular weight of 2265.35 g/mol, XLogP of 28.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;bromobenzene;bis(bromopalladium(1+));1-bromo-4-phenylbenzene;1,4-dibromobenzene;1,4-diphenylbenzene;ethane;palladium;palladium(2+);phenylbenzene;bis(4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane) is sourced from PubChem (CID 161137155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).