4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

C201H146BCl3N6O3P4Pd — CID 158777710

IUPAC4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)OC1(C)C.Clc1cc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)nc(-c2ccccc2)n1.Clc1cc(Cl)nc(-c2ccccc2)n1.[Pd].c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C53H32N2O.C35H21ClN2.C31H27BO2.4C18H15P.C10H6Cl2N2.Pd/c1-2-15-33(16-3-1)52-54-47(35-18-12-17-34(31-35)36-23-13-24-40-39-21-7-11-30-49(39)56-51(36)40)32-48(55-52)42-25-14-29-46-50(42)41-22-6-10-28-45(41)53(46)43-26-8-4-19-37(43)38-20-5-9-27-44(38)53;36-32-21-31(37-34(38-32)22-11-2-1-3-12-22)26-16-10-20-30-33(26)25-15-6-9-19-29(25)35(30)27-17-7-4-13-23(27)24-14-5-8-18-28(24)35;1-29(2)30(3,4)34-32(33-29)27-19-11-18-26-28(27)22-14-7-10-17-25(22)31(26)23-15-8-5-12-20(23)21-13-6-9-16-24(21)31;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7;/h1-32H;1-21H;5-19H,1-4H3;4*1-15H;1-6H;
InChIKeyIQRHPWQDJZPHFB-UHFFFAOYSA-N
MW3040.90 g/mol
LogP45.75
Rot. Bonds20

About 4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (PubChem CID 158777710) has the molecular formula C201H146BCl3N6O3P4Pd and a molecular weight of 3040.90 g/mol. Its IUPAC name is 4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
PubChem CID158777710
Molecular FormulaC201H146BCl3N6O3P4Pd
Molecular Weight3040.90 g/mol
Exact Mass3036.86
IUPAC Name4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)OC1(C)C.Clc1cc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)nc(-c2ccccc2)n1.Clc1cc(Cl)nc(-c2ccccc2)n1.[Pd].c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C53H32N2O.C35H21ClN2.C31H27BO2.4C18H15P.C10H6Cl2N2.Pd/c1-2-15-33(16-3-1)52-54-47(35-18-12-17-34(31-35)36-23-13-24-40-39-21-7-11-30-49(39)56-51(36)40)32-48(55-52)42-25-14-29-46-50(42)41-22-6-10-28-45(41)53(46)43-26-8-4-19-37(43)38-20-5-9-27-44(38)53;36-32-21-31(37-34(38-32)22-11-2-1-3-12-22)26-16-10-20-30-33(26)25-15-6-9-19-29(25)35(30)27-17-7-4-13-23(27)24-14-5-8-18-28(24)35;1-29(2)30(3,4)34-32(33-29)27-19-11-18-26-28(27)22-14-7-10-17-25(22)31(26)23-15-8-5-12-20(23)21-13-6-9-16-24(21)31;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7;/h1-32H;1-21H;5-19H,1-4H3;4*1-15H;1-6H;
InChIKeyIQRHPWQDJZPHFB-UHFFFAOYSA-N
XLogP45.75
TPSA108.94 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms219
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003040.90
LogP ≤ 545.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171583334
4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 146661262
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602100
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171584672
4-dibenzofuran-4-yl-2-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 146969373
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603283
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602778
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601926
4-(6-dibenzofuran-4-ylnaphthalen-2-yl)-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794281
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585452
4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine
CID 171601946

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The IUPAC name of 4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (CID 158777710) is 4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).
What is the SMILES notation for 4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The canonical SMILES for 4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is CC1(C)OB(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)OC1(C)C.Clc1cc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)nc(-c2ccccc2)n1.Clc1cc(Cl)nc(-c2ccccc2)n1.[Pd].c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.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-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The InChIKey is IQRHPWQDJZPHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O.C35H21ClN2.C31H27BO2.4C18H15P.C10H6Cl2N2.Pd/c1-2-15-33(16-3-1)52-54-47(35-18-12-17-34(31-35)36-23-13-24-40-39-21-7-11-30-49(39)56-51(36)40)32-48(55-52)42-25-14-29-46-50(42)41-22-6-10-28-45(41)53(46)43-26-8-4-19-37(43)38-20-5-9-27-44(38)53;36-32-21-31(37-34(38-32)22-11-2-1-3-12-22)26-16-10-20-30-33(26)25-15-6-9-19-29(25)35(30)27-17-7-4-13-23(27)24-14-5-8-18-28(24)35;1-29(2)30(3,4)34-32(33-29)27-19-11-18-26-28(27)22-14-7-10-17-25(22)31(26)23-15-8-5-12-20(23)21-13-6-9-16-24(21)31;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7;/h1-32H;1-21H;5-19H,1-4H3;4*1-15H;1-6H;.
What are the key properties of 4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) has a molecular weight of 3040.90 g/mol, XLogP of 45.75, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;palladium;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-4'-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158777710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).