(9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)

C159H131BBr4O2P4Pd — CID 158916826

About (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)

(9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane) (PubChem CID 158916826) has the molecular formula C159H131BBr4O2P4Pd and a molecular weight of 2634.54 g/mol. Its IUPAC name is (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)
• PubChem CID: 158916826
• Molecular Formula: C159H131BBr4O2P4Pd
• Molecular Weight: 2634.54 g/mol
• Exact Mass: 2628.50
• IUPAC Name: (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)
• SMILES: Brc1cc(Br)c(Br)cc1Br.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(B(O)O)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/C66H54.4C18H15P.C15H15BO2.C6H2Br4.Pd/c1-63(2)55-21-13-9-17-43(55)47-29-25-39(33-59(47)63)51-37-53(41-27-31-49-45-19-11-15-23-57(45)65(5,6)61(49)35-41)54(42-28-32-50-46-20-12-16-24-58(46)66(7,8)62(50)36-42)38-52(51)40-26-30-48-44-18-10-14-22-56(44)64(3,4)60(48)34-40;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15;7-3-1-4(8)6(10)2-5(3)9;/h9-38H,1-8H3;4*1-15H;3-9,17-18H,1-2H3;1-2H
• InChIKey: JHIHPUIIXUGTMH-UHFFFAOYSA-N
• XLogP: 37.77
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2634.54
LogP ≤ 5	37.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', '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 (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)?

The IUPAC name of (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane) (CID 158916826) is (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane).

What is the SMILES notation for (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)?

The canonical SMILES for (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane) is Brc1cc(Br)c(Br)cc1Br.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(B(O)O)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 (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)?

The InChIKey is JHIHPUIIXUGTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54.4C18H15P.C15H15BO2.C6H2Br4.Pd/c1-63(2)55-21-13-9-17-43(55)47-29-25-39(33-59(47)63)51-37-53(41-27-31-49-45-19-11-15-23-57(45)65(5,6)61(49)35-41)54(42-28-32-50-46-20-12-16-24-58(46)66(7,8)62(50)36-42)38-52(51)40-26-30-48-44-18-10-14-22-56(44)64(3,4)60(48)34-40;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15;7-3-1-4(8)6(10)2-5(3)9;/h9-38H,1-8H3;4*1-15H;3-9,17-18H,1-2H3;1-2H;.

What are the key properties of (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)?

(9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane) has a molecular weight of 2634.54 g/mol, XLogP of 37.77, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158916826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).