4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane)

C124H108BClN8O6P4Pd — CID 158585489

IUPAC4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(c2ccc(NC(=O)N3CCc4ccccc43)cc2)OC1(C)C.O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21.O=c1[nH]nc(Cl)c2ccccc12.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H18N4O2.C21H25BN2O3.4C18H15P.C8H5ClN2O.Pd/c28-22-19-7-3-2-6-18(19)21(25-26-22)16-9-11-17(12-10-16)24-23(29)27-14-13-15-5-1-4-8-20(15)27;1-20(2)21(3,4)27-22(26-20)16-9-11-17(12-10-16)23-19(25)24-14-13-15-7-5-6-8-18(15)24;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7-5-3-1-2-4-6(5)8(12)11-10-7;/h1-12H,13-14H2,(H,24,29)(H,26,28);5-12H,13-14H2,1-4H3,(H,23,25);4*1-15H;1-4H,(H,11,12);
InChIKeyHTTSUCUOTOJDIC-UHFFFAOYSA-N
MW2082.86 g/mol
LogP23.12
Rot. Bonds16

About 4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane)

4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane) (PubChem CID 158585489) has the molecular formula C124H108BClN8O6P4Pd and a molecular weight of 2082.86 g/mol. Its IUPAC name is 4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane)
PubChem CID158585489
Molecular FormulaC124H108BClN8O6P4Pd
Molecular Weight2082.86 g/mol
Exact Mass2080.62
IUPAC Name4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(c2ccc(NC(=O)N3CCc4ccccc43)cc2)OC1(C)C.O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21.O=c1[nH]nc(Cl)c2ccccc12.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H18N4O2.C21H25BN2O3.4C18H15P.C8H5ClN2O.Pd/c28-22-19-7-3-2-6-18(19)21(25-26-22)16-9-11-17(12-10-16)24-23(29)27-14-13-15-5-1-4-8-20(15)27;1-20(2)21(3,4)27-22(26-20)16-9-11-17(12-10-16)23-19(25)24-14-13-15-7-5-6-8-18(15)24;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7-5-3-1-2-4-6(5)8(12)11-10-7;/h1-12H,13-14H2,(H,24,29)(H,26,28);5-12H,13-14H2,1-4H3,(H,23,25);4*1-15H;1-4H,(H,11,12);
InChIKeyHTTSUCUOTOJDIC-UHFFFAOYSA-N
XLogP23.12
TPSA174.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002082.86
LogP ≤ 523.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

4-chloro-2H-phthalazin-1-one;[4-(4-oxo-3H-phthalazin-1-yl)phenyl] 5-fluoro-1,3-dihydroisoindole-2-carboxylate;palladium;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] 5-fluoro-1,3-dihydroisoindole-2-carboxylate;tetrakis(triphenylphosphane)
CID 158245467
4-chloro-2H-phthalazin-1-one;ethyl 2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]propanoate;ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate;palladium;tetrakis(triphenylphosphane)
CID 158140599
N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 90284863
N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 90283420
CID 144672697
CID 144672697
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
4-[4-[2-(6-ethoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 90299602
4-[4-[2-[6-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 118556562
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane)?
The IUPAC name of 4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane) (CID 158585489) is 4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane).
What is the SMILES notation for 4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane)?
The canonical SMILES for 4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane) is CC1(C)OB(c2ccc(NC(=O)N3CCc4ccccc43)cc2)OC1(C)C.O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21.O=c1[nH]nc(Cl)c2ccccc12.[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 4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane)?
The InChIKey is HTTSUCUOTOJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2.C21H25BN2O3.4C18H15P.C8H5ClN2O.Pd/c28-22-19-7-3-2-6-18(19)21(25-26-22)16-9-11-17(12-10-16)24-23(29)27-14-13-15-5-1-4-8-20(15)27;1-20(2)21(3,4)27-22(26-20)16-9-11-17(12-10-16)23-19(25)24-14-13-15-7-5-6-8-18(15)24;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7-5-3-1-2-4-6(5)8(12)11-10-7;/h1-12H,13-14H2,(H,24,29)(H,26,28);5-12H,13-14H2,1-4H3,(H,23,25);4*1-15H;1-4H,(H,11,12);.
What are the key properties of 4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane)?
4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane) has a molecular weight of 2082.86 g/mol, XLogP of 23.12, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158585489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).