dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane)

C77H61BCl2F2N12O2P2Pd — CID 157435212

About dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane)

dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane) (PubChem CID 157435212) has the molecular formula C77H61BCl2F2N12O2P2Pd and a molecular weight of 1474.50 g/mol. Its IUPAC name is dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane).

Molecular Properties

• Compound Name: dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane)
• PubChem CID: 157435212
• Molecular Formula: C77H61BCl2F2N12O2P2Pd
• Molecular Weight: 1474.50 g/mol
• Exact Mass: 1472.30
• IUPAC Name: dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane)
• SMILES: Cc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.Cl[Pd]Cl.Fc1ccccc1-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.OB(O)c1ccccc1F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C20H13FN6.2C18H15P.C15H12N6.C6H6BFO2.2ClH.Pd/c21-16-6-2-1-5-15(16)18-11-23-19-20(24-18)27(26-25-19)12-13-7-8-17-14(10-13)4-3-9-22-17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-8-17-14-15(18-10)21(20-19-14)9-11-4-5-13-12(7-11)3-2-6-16-13;8-6-4-2-1-3-5(6)7(9)10;;;/h1-11H,12H2;2*1-15H;2-8H,9H2,1H3;1-4,9-10H;2*1H;/q;;;;;;;+2/p-2
• InChIKey: BRAANUKAHFTCMK-UHFFFAOYSA-L
• XLogP: 13.52
• TPSA: 179.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1474.50
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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 dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane)?

The IUPAC name of dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane) (CID 157435212) is dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane).

What is the SMILES notation for dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane)?

The canonical SMILES for dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane) is Cc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.Cl[Pd]Cl.Fc1ccccc1-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.OB(O)c1ccccc1F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane)?

The InChIKey is BRAANUKAHFTCMK-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H13FN6.2C18H15P.C15H12N6.C6H6BFO2.2ClH.Pd/c21-16-6-2-1-5-15(16)18-11-23-19-20(24-18)27(26-25-19)12-13-7-8-17-14(10-13)4-3-9-22-17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-8-17-14-15(18-10)21(20-19-14)9-11-4-5-13-12(7-11)3-2-6-16-13;8-6-4-2-1-3-5(6)7(9)10;;;/h1-11H,12H2;2*1-15H;2-8H,9H2,1H3;1-4,9-10H;2*1H;/q;;;;;;;+2/p-2.

What are the key properties of dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane)?

dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane) has a molecular weight of 1474.50 g/mol, XLogP of 13.52, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for dichloropalladium;(2-fluorophenyl)boronic acid;6-[[5-(2-fluorophenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;6-[(5-methyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline;bis(triphenylphosphane) is sourced from PubChem (CID 157435212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).