5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane)

C192H148BBr3O3P4Pd — CID 159746379

About 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane)

5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane) (PubChem CID 159746379) has the molecular formula C192H148BBr3O3P4Pd and a molecular weight of 2984.13 g/mol. Its IUPAC name is 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 159746379
• Molecular Formula: C192H148BBr3O3P4Pd
• Molecular Weight: 2984.13 g/mol
• Exact Mass: 2978.71
• IUPAC Name: 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane)
• SMILES: Brc1ccc2c3c(cccc13)-c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1.Brc1ccc2c3c(cccc13)-c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1.Brc1ccc2c3c(cccc13)C=C2.C.C.CC1(C)OB(c2ccc3c4c(cccc24)-c2ccccc2-3)OC1(C)C.[Pd].c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C32H19Br.C22H21BO2.C20H14O.4C18H15P.C12H7Br.2CH4.Pd/c2*33-27-19-18-26-30-24(27)16-9-17-25(30)31-28(20-10-3-1-4-11-20)22-14-7-8-15-23(22)29(32(26)31)21-12-5-2-6-13-21;1-21(2)22(3,4)25-23(24-21)19-13-12-17-15-9-6-5-8-14(15)16-10-7-11-18(19)20(16)17;1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;;;/h2*1-19H;5-13H,1-4H3;1-14H;4*1-15H;1-7H;2*1H4
• InChIKey: NDBXQYTYNJOVKA-UHFFFAOYSA-N
• XLogP: 49.16
• TPSA: 31.60 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 19
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2984.13
LogP ≤ 5	49.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane) (CID 159746379) is 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane) is Brc1ccc2c3c(cccc13)-c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1.Brc1ccc2c3c(cccc13)-c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1.Brc1ccc2c3c(cccc13)C=C2.C.C.CC1(C)OB(c2ccc3c4c(cccc24)-c2ccccc2-3)OC1(C)C.[Pd].c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane)?

The InChIKey is NDBXQYTYNJOVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H19Br.C22H21BO2.C20H14O.4C18H15P.C12H7Br.2CH4.Pd/c2*33-27-19-18-26-30-24(27)16-9-17-25(30)31-28(20-10-3-1-4-11-20)22-14-7-8-15-23(22)29(32(26)31)21-12-5-2-6-13-21;1-21(2)22(3,4)25-23(24-21)19-13-12-17-15-9-6-5-8-14(15)16-10-7-11-18(19)20(16)17;1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;;;/h2*1-19H;5-13H,1-4H3;1-14H;4*1-15H;1-7H;2*1H4;.

What are the key properties of 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane)?

5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2984.13 g/mol, XLogP of 49.16, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromoacenaphthylene;bis(3-bromo-7,12-diphenylbenzo[k]fluoranthene);1,3-diphenyl-2-benzofuran;2-fluoranthen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159746379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).