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)

C119H108BClN2Na2O7P4Pd — CID 157134771

IUPACdisodium;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)
SMILESCC1(C)c2ccccc2Oc2c(-c3ccccn3)cccc21.CC1(C)c2ccccc2Oc2c(B3OC(C)(C)C(C)(C)O3)cccc21.Clc1ccccn1.O=CO[O-].[H-].[Na+].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H25BO3.C20H17NO.4C18H15P.C5H4ClN.CH2O3.2Na.Pd.H/c1-19(2)14-10-7-8-13-17(14)23-18-15(19)11-9-12-16(18)22-24-20(3,4)21(5,6)25-22;1-20(2)15-9-3-4-12-18(15)22-19-14(8-7-10-16(19)20)17-11-5-6-13-21-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-5-3-1-2-4-7-5;2-1-4-3;;;;/h7-13H,1-6H3;3-13H,1-2H3;4*1-15H;1-4H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
InChIKeyINXXAOJIAYTRSA-UHFFFAOYSA-M
MW2000.74 g/mol
LogP17.66
Rot. Bonds15

About 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)

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) (PubChem CID 157134771) has the molecular formula C119H108BClN2Na2O7P4Pd and a molecular weight of 2000.74 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namedisodium;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)
PubChem CID157134771
Molecular FormulaC119H108BClN2Na2O7P4Pd
Molecular Weight2000.74 g/mol
Exact Mass1998.57
IUPAC Namedisodium;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)
SMILESCC1(C)c2ccccc2Oc2c(-c3ccccn3)cccc21.CC1(C)c2ccccc2Oc2c(B3OC(C)(C)C(C)(C)O3)cccc21.Clc1ccccn1.O=CO[O-].[H-].[Na+].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H25BO3.C20H17NO.4C18H15P.C5H4ClN.CH2O3.2Na.Pd.H/c1-19(2)14-10-7-8-13-17(14)23-18-15(19)11-9-12-16(18)22-24-20(3,4)21(5,6)25-22;1-20(2)15-9-3-4-12-18(15)22-19-14(8-7-10-16(19)20)17-11-5-6-13-21-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-5-3-1-2-4-7-5;2-1-4-3;;;;/h7-13H,1-6H3;3-13H,1-2H3;4*1-15H;1-4H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
InChIKeyINXXAOJIAYTRSA-UHFFFAOYSA-M
XLogP17.66
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002000.74
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 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) with MolForge

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Related Compounds

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
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)
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9,9-dimethylxanthene;triphenylphosphane
CID 175584517
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
2-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]pyridine
CID 138574011
8-[5'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 147825435
acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum
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CID 140899415
4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 166995811
3-bromo-5-pyridin-2-ylbenzonitrile;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine;3-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5-pyridin-2-ylbenzonitrile
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2-(16-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-6-yl)pyridine
CID 144879530
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 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC1(C)c2ccccc2Oc2c(-c3ccccn3)cccc21.CC1(C)c2ccccc2Oc2c(B3OC(C)(C)C(C)(C)O3)cccc21.Clc1ccccn1.O=CO[O-].[H-].[Na+].[Na+].[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 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)?
The InChIKey is INXXAOJIAYTRSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H25BO3.C20H17NO.4C18H15P.C5H4ClN.CH2O3.2Na.Pd.H/c1-19(2)14-10-7-8-13-17(14)23-18-15(19)11-9-12-16(18)22-24-20(3,4)21(5,6)25-22;1-20(2)15-9-3-4-12-18(15)22-19-14(8-7-10-16(19)20)17-11-5-6-13-21-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-5-3-1-2-4-7-5;2-1-4-3;;;;/h7-13H,1-6H3;3-13H,1-2H3;4*1-15H;1-4H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1.
What are the key properties of 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)?
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) has a molecular weight of 2000.74 g/mol, XLogP of 17.66, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 157134771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).