dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

C129H114BCl3K2N2O5P4Pd — CID 157051205

IUPACdipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESCc1cc(-c2nccc3cc(Cl)ccc23)cc2c1-c1ccccc1C2(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1-c1ccccc1C2(C)C.Clc1ccc2c(Cl)nccc2c1.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20ClN.C22H27BO2.4C18H15P.C9H5Cl2N.CH2O3.2K.Pd.H/c1-15-12-17(24-19-9-8-18(26)13-16(19)10-11-27-24)14-22-23(15)20-6-4-5-7-21(20)25(22,2)3;1-14-12-15(23-24-21(4,5)22(6,7)25-23)13-18-19(14)16-10-8-9-11-17(16)20(18,2)3;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-7-1-2-8-6(5-7)3-4-12-9(8)11;2-1-4-3;;;;/h4-14H,1-3H3;8-13H,1-7H3;4*1-15H;1-5H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
InChIKeyUYBYSDPPBZGVSD-UHFFFAOYSA-M
MW2198.02 g/mol
LogP21.64
Rot. Bonds15

About dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (PubChem CID 157051205) has the molecular formula C129H114BCl3K2N2O5P4Pd and a molecular weight of 2198.02 g/mol. Its IUPAC name is dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namedipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
PubChem CID157051205
Molecular FormulaC129H114BCl3K2N2O5P4Pd
Molecular Weight2198.02 g/mol
Exact Mass2194.51
IUPAC Namedipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESCc1cc(-c2nccc3cc(Cl)ccc23)cc2c1-c1ccccc1C2(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1-c1ccccc1C2(C)C.Clc1ccc2c(Cl)nccc2c1.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20ClN.C22H27BO2.4C18H15P.C9H5Cl2N.CH2O3.2K.Pd.H/c1-15-12-17(24-19-9-8-18(26)13-16(19)10-11-27-24)14-22-23(15)20-6-4-5-7-21(20)25(22,2)3;1-14-12-15(23-24-21(4,5)22(6,7)25-23)13-18-19(14)16-10-8-9-11-17(16)20(18,2)3;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-7-1-2-8-6(5-7)3-4-12-9(8)11;2-1-4-3;;;;/h4-14H,1-3H3;8-13H,1-7H3;4*1-15H;1-5H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
InChIKeyUYBYSDPPBZGVSD-UHFFFAOYSA-M
XLogP21.64
TPSA93.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002198.02
LogP ≤ 521.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

potassium;2-chloro-4,9,9-trimethylfluorene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;acetate
CID 161049849
dipotassium;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;hydride;oxido formate;palladium;2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 159995747
disodium;2-chloropyridine;2-(9,9-dimethylxanthen-4-yl)pyridine;2-(9,9-dimethylxanthen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
CID 157134771
3-chlorochrysene;3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]chrysene;2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161471658
4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 160710132
2-bromopyridine;2-(9,9-dimethylxanthen-2-yl)pyridine;2-(9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;palladium;tetrakis(triphenylphosphane)
CID 158191293
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]isoquinoline
CID 58322582
bis(4,12-bis(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);4,12-dichloro-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157295330
2-chloro-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;palladium;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 158848561
2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane)
CID 159440748
2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(2-chloro-6-phenanthren-9-yl-1,5-naphthyridine);2,6-dichloro-1,5-naphthyridine;methane;bis(palladium);phenanthren-9-ylboronic acid;octakis(triphenylphosphane)
CID 162133870
2-(9,9-dimethylfluoren-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 169262142

Frequently Asked Questions

What is the IUPAC name of dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The IUPAC name of dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (CID 157051205) is dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).
What is the SMILES notation for dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The canonical SMILES for dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is Cc1cc(-c2nccc3cc(Cl)ccc23)cc2c1-c1ccccc1C2(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1-c1ccccc1C2(C)C.Clc1ccc2c(Cl)nccc2c1.O=CO[O-].[H-].[K+].[K+].[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 dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The InChIKey is UYBYSDPPBZGVSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H20ClN.C22H27BO2.4C18H15P.C9H5Cl2N.CH2O3.2K.Pd.H/c1-15-12-17(24-19-9-8-18(26)13-16(19)10-11-27-24)14-22-23(15)20-6-4-5-7-21(20)25(22,2)3;1-14-12-15(23-24-21(4,5)22(6,7)25-23)13-18-19(14)16-10-8-9-11-17(16)20(18,2)3;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-7-1-2-8-6(5-7)3-4-12-9(8)11;2-1-4-3;;;;/h4-14H,1-3H3;8-13H,1-7H3;4*1-15H;1-5H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1.
What are the key properties of dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) has a molecular weight of 2198.02 g/mol, XLogP of 21.64, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;6-chloro-1-(4,9,9-trimethylfluoren-2-yl)isoquinoline;1,6-dichloroisoquinoline;hydride;oxido formate;palladium;4,4,5,5-tetramethyl-2-(4,9,9-trimethylfluoren-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157051205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).