(3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane)

C131H124B2Br2N2P4PdZn — CID 159243746

IUPAC(3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane)
SMILESC.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.[Pd].[Zn+]Br.[c-]1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30BN.C24H26BBr.4C18H15P.C5H4N.CH4.BrH.Pd.Zn/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;;;;/h7-18H,1-6H3;7-14H,1-6H3;4*1-15H;1-4H;1H4;1H;;/q;;;;;;-1;;;;+2/p-1
InChIKeyQLNMUGZEBNFTCS-UHFFFAOYSA-M
MW2203.58 g/mol
LogP26.07
Rot. Bonds19

About (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane)

(3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane) (PubChem CID 159243746) has the molecular formula C131H124B2Br2N2P4PdZn and a molecular weight of 2203.58 g/mol. Its IUPAC name is (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name(3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane)
PubChem CID159243746
Molecular FormulaC131H124B2Br2N2P4PdZn
Molecular Weight2203.58 g/mol
Exact Mass2198.56
IUPAC Name(3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane)
SMILESC.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.[Pd].[Zn+]Br.[c-]1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H30BN.C24H26BBr.4C18H15P.C5H4N.CH4.BrH.Pd.Zn/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;;;;/h7-18H,1-6H3;7-14H,1-6H3;4*1-15H;1-4H;1H4;1H;;/q;;;;;;-1;;;;+2/p-1
InChIKeyQLNMUGZEBNFTCS-UHFFFAOYSA-M
XLogP26.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002203.58
LogP ≤ 526.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

[3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712995
[3-(1-benzyltriazol-4-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane;2-methylpyridine;platinum(2+);2-(1H-1,2,4-triazol-5-yl)pyridine
CID 86275126
[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylphenyl)boranyl]phenyl]-3-(4-methylphenyl)benzimidazol-2-ylidene]platinum
CID 162500130
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
bromozinc(1+);2-chloro-4-pyridin-2-ylpyrimidine;2,4-dichloro-5H-pyrimidin-5-ylium;oxolane;palladium;2H-pyridin-2-ide;tetrakis(triphenylphosphane)
CID 157063087
2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline
CID 140758620
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
[3-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712954
2-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-(3-methyl-5-pyridin-2-ylphenyl)pyridine
CID 159330805
N-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-N-(3-pyrazin-2-ylphenyl)naphthalen-2-amine
CID 177073913

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane)?
The IUPAC name of (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane) (CID 159243746) is (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane).
What is the SMILES notation for (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane)?
The canonical SMILES for (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane) is C.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.[Pd].[Zn+]Br.[c-]1ccccn1.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;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane)?
The InChIKey is QLNMUGZEBNFTCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H30BN.C24H26BBr.4C18H15P.C5H4N.CH4.BrH.Pd.Zn/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;;;;/h7-18H,1-6H3;7-14H,1-6H3;4*1-15H;1-4H;1H4;1H;;/q;;;;;;-1;;;;+2/p-1.
What are the key properties of (3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane)?
(3-bromophenyl)-bis(2,4,6-trimethylphenyl)borane;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane) has a molecular weight of 2203.58 g/mol, XLogP of 26.07, 19 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;bromozinc(1+);methane;palladium;2H-pyridin-2-ide;(3-pyridin-2-ylphenyl)-bis(2,4,6-trimethylphenyl)borane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159243746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).