2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)

C218H260B2Br4N2O4P4Pd — CID 159495611

About 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)

2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) (PubChem CID 159495611) has the molecular formula C218H260B2Br4N2O4P4Pd and a molecular weight of 3544.04 g/mol. Its IUPAC name is 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 159495611
• Molecular Formula: C218H260B2Br4N2O4P4Pd
• Molecular Weight: 3544.04 g/mol
• Exact Mass: 3537.51
• IUPAC Name: 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)
• SMILES: Brc1ccc(Br)nc1.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccc(-c6ccc(C)cn6)cc5)ccc3-4)cc21.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C71H93N.C41H64B2O4.C29H40Br2.4C18H15P.C5H3Br2N.Pd/c1-7-11-15-19-23-27-45-70(46-28-24-20-16-12-8-2)65-49-54(5)31-40-61(65)62-42-38-59(51-67(62)70)60-39-43-64-63-41-37-58(56-33-35-57(36-34-56)69-44-32-55(6)53-72-69)50-66(63)71(68(64)52-60,47-29-25-21-17-13-9-3)48-30-26-22-18-14-10-4;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-4-1-2-5(7)8-3-4;/h31-44,49-53H,7-30,45-48H2,1-6H3;23-26,29-30H,11-22,27-28H2,1-10H3;15-18,21-22H,3-14,19-20H2,1-2H3;4*1-15H;1-3H
• InChIKey: LYSYXZYFOMRWAT-UHFFFAOYSA-N
• XLogP: 59.65
• TPSA: 62.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 73
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3544.04
LogP ≤ 5	59.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) (CID 159495611) is 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) is Brc1ccc(Br)nc1.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccc(-c6ccc(C)cn6)cc5)ccc3-4)cc21.[Pd].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 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?

The InChIKey is LYSYXZYFOMRWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H93N.C41H64B2O4.C29H40Br2.4C18H15P.C5H3Br2N.Pd/c1-7-11-15-19-23-27-45-70(46-28-24-20-16-12-8-2)65-49-54(5)31-40-61(65)62-42-38-59(51-67(62)70)60-39-43-64-63-41-37-58(56-33-35-57(36-34-56)69-44-32-55(6)53-72-69)50-66(63)71(68(64)52-60,47-29-25-21-17-13-9-3)48-30-26-22-18-14-10-4;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-4-1-2-5(7)8-3-4;/h31-44,49-53H,7-30,45-48H2,1-6H3;23-26,29-30H,11-22,27-28H2,1-10H3;15-18,21-22H,3-14,19-20H2,1-2H3;4*1-15H;1-3H;.

What are the key properties of 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?

2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) has a molecular weight of 3544.04 g/mol, XLogP of 59.65, 73 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dibromo-9,9-dioctylfluorene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159495611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).