3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)

C85H34B2F40N2P2Pd — CID 11982033

About 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)

3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) (PubChem CID 11982033) has the molecular formula C85H34B2F40N2P2Pd and a molecular weight of 2033.13 g/mol. Its IUPAC name is 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide).

Molecular Properties

• Compound Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
• PubChem CID: 11982033
• Molecular Formula: C85H34B2F40N2P2Pd
• Molecular Weight: 2033.13 g/mol
• Exact Mass: 2032.08
• IUPAC Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
• SMILES: Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C27H26P2.2C24BF20.C10H8N2.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-12,14-21H,13,22-23H2;;;1-8H;/q;2*-1;;+2
• InChIKey: ZRWWNTKVORSGFQ-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2033.13
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

The IUPAC name of 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) (CID 11982033) is 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide).

What is the SMILES notation for 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

The canonical SMILES for 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) is Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

The InChIKey is ZRWWNTKVORSGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26P2.2C24BF20.C10H8N2.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-12,14-21H,13,22-23H2;;;1-8H;/q;2*-1;;+2.

What are the key properties of 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) has a molecular weight of 2033.13 g/mol, XLogP of 19.48, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);2-pyridin-2-ylpyridine;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) is sourced from PubChem (CID 11982033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).