1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)

C130H98Br2Cl2N2P4Pd — CID 158926585

About 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)

1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) (PubChem CID 158926585) has the molecular formula C130H98Br2Cl2N2P4Pd and a molecular weight of 2149.26 g/mol. Its IUPAC name is 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 158926585
• Molecular Formula: C130H98Br2Cl2N2P4Pd
• Molecular Weight: 2149.26 g/mol
• Exact Mass: 2144.35
• IUPAC Name: 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)
• SMILES: Clc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.Clc1cccc(-c2cc(-c3cccc(Br)c3)cc(-c3cccc(Br)c3)c2)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C34H23ClN2.C24H15Br2Cl.4C18H15P.Pd/c35-34-13-3-10-28(21-34)33-19-31(26-8-1-6-24(16-26)29-11-4-14-36-22-29)18-32(20-33)27-9-2-7-25(17-27)30-12-5-15-37-23-30;25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-23H;1-15H;4*1-15H
• InChIKey: JINFRVRGAGMPSG-UHFFFAOYSA-N
• XLogP: 32.11
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2149.26
LogP ≤ 5	32.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) (CID 158926585) is 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) is Clc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.Clc1cccc(-c2cc(-c3cccc(Br)c3)cc(-c3cccc(Br)c3)c2)c1.[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 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?

The InChIKey is JINFRVRGAGMPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClN2.C24H15Br2Cl.4C18H15P.Pd/c35-34-13-3-10-28(21-34)33-19-31(26-8-1-6-24(16-26)29-11-4-14-36-22-29)18-32(20-33)27-9-2-7-25(17-27)30-12-5-15-37-23-30;25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-23H;1-15H;4*1-15H;.

What are the key properties of 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane)?

1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2149.26 g/mol, XLogP of 32.11, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(3-bromophenyl)-5-(3-chlorophenyl)benzene;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158926585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).