(3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)

C144H154B2BrN2P4PdSn- — CID 158226812

About (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)

(3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane) (PubChem CID 158226812) has the molecular formula C144H154B2BrN2P4PdSn- and a molecular weight of 2363.38 g/mol. Its IUPAC name is (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)
• PubChem CID: 158226812
• Molecular Formula: C144H154B2BrN2P4PdSn-
• Molecular Weight: 2363.38 g/mol
• Exact Mass: 2361.85
• IUPAC Name: (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)
• SMILES: C.CCCC[Sn](CCCC)(CCCC)c1ccccn1.Cc1cc(C)c(B(c2cccc(-c3ccccn3)c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2cccc(Br)c2)c2c(C)cc(C)cc2C)c(C)c1.[CH3-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C29H30BN.C24H26BBr.4C18H15P.C5H4N.3C4H9.CH4.CH3.Pd.Sn/c1-19-14-21(3)28(22(4)15-19)30(29-23(5)16-20(2)17-24(29)6)26-11-9-10-25(18-26)27-12-7-8-13-31-27;1-15-10-17(3)23(18(4)11-15)25(21-8-7-9-22(26)14-21)24-19(5)12-16(2)13-20(24)6;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;3*1-3-4-2;;;;/h7-18H,1-6H3;7-14H,1-6H3;4*1-15H;1-4H;3*1,3-4H2,2H3;1H4;1H3;;/q;;;;;;;;;;;-1
• InChIKey: GDWXNDVZFHIUTR-UHFFFAOYSA-N
• XLogP: 29.93
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 29
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2363.38
LogP ≤ 5	29.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)?

The IUPAC name of (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane) (CID 158226812) is (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane).

What is the SMILES notation for (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)?

The canonical SMILES for (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane) is C.CCCC[Sn](CCCC)(CCCC)c1ccccn1.Cc1cc(C)c(B(c2cccc(-c3ccccn3)c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2cccc(Br)c2)c2c(C)cc(C)cc2C)c(C)c1.[CH3-].[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 (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)?

The InChIKey is GDWXNDVZFHIUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30BN.C24H26BBr.4C18H15P.C5H4N.3C4H9.CH4.CH3.Pd.Sn/c1-19-14-21(3)28(22(4)15-19)30(29-23(5)16-20(2)17-24(29)6)26-11-9-10-25(18-26)27-12-7-8-13-31-27;1-15-10-17(3)23(18(4)11-15)25(21-8-7-9-22(26)14-21)24-19(5)12-16(2)13-20(24)6;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;3*1-3-4-2;;;;/h7-18H,1-6H3;7-14H,1-6H3;4*1-15H;1-4H;3*1,3-4H2,2H3;1H4;1H3;;/q;;;;;;;;;;;-1;;.

What are the key properties of (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)?

(3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane) has a molecular weight of 2363.38 g/mol, XLogP of 29.93, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;carbanide;methane;palladium;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158226812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).