2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane)

C151H171BCl2N8O5P4Pd — CID 160679323

IUPAC2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane)
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)nn3C3CCCCO3)nc(-c3cc(C(C)(C)C)nn3C3CCCCO3)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(Cl)nc(Cl)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(B2OC3(C)CC3(C)O2)n(C2CCCCO2)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H61N5O2.C19H23Cl2N.4C18H15P.C17H27BN2O3.Pd/c1-40(2,3)30-21-28(22-31(25-30)41(4,5)6)29-23-32(34-26-36(42(7,8)9)45-47(34)38-17-13-15-19-49-38)44-33(24-29)35-27-37(43(10,11)12)46-48(35)39-18-14-16-20-50-39;1-18(2,3)14-7-12(8-15(11-14)19(4,5)6)13-9-16(20)22-17(21)10-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)12-10-13(18-22-16(4)11-17(16,5)23-18)20(19-12)14-8-6-7-9-21-14;/h21-27,38-39H,13-20H2,1-12H3;7-11H,1-6H3;4*1-15H;10,14H,6-9,11H2,1-5H3;
InChIKeyRNXVYKBUCMOLQN-UHFFFAOYSA-N
MW2490.11 g/mol
LogP34.03
Rot. Bonds20

About 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane)

2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane) (PubChem CID 160679323) has the molecular formula C151H171BCl2N8O5P4Pd and a molecular weight of 2490.11 g/mol. Its IUPAC name is 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane)
PubChem CID160679323
Molecular FormulaC151H171BCl2N8O5P4Pd
Molecular Weight2490.11 g/mol
Exact Mass2487.08
IUPAC Name2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane)
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)nn3C3CCCCO3)nc(-c3cc(C(C)(C)C)nn3C3CCCCO3)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(Cl)nc(Cl)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(B2OC3(C)CC3(C)O2)n(C2CCCCO2)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H61N5O2.C19H23Cl2N.4C18H15P.C17H27BN2O3.Pd/c1-40(2,3)30-21-28(22-31(25-30)41(4,5)6)29-23-32(34-26-36(42(7,8)9)45-47(34)38-17-13-15-19-49-38)44-33(24-29)35-27-37(43(10,11)12)46-48(35)39-18-14-16-20-50-39;1-18(2,3)14-7-12(8-15(11-14)19(4,5)6)13-9-16(20)22-17(21)10-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)12-10-13(18-22-16(4)11-17(16,5)23-18)20(19-12)14-8-6-7-9-21-14;/h21-27,38-39H,13-20H2,1-12H3;7-11H,1-6H3;4*1-15H;10,14H,6-9,11H2,1-5H3;
InChIKeyRNXVYKBUCMOLQN-UHFFFAOYSA-N
XLogP34.03
TPSA125.39 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002490.11
LogP ≤ 534.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

1,3-bis[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;1,3-dichloroisoquinoline;3-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;palladium;tetrakis(triphenylphosphane)
CID 158159035
1,3-Bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinoline;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;1,3-dichloroisoquinoline;palladium;tetrakis(triphenylphosphane)
CID 158597129
3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-chloro-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;methane;palladium;tetrakis(triphenylphosphane)
CID 158904607
3-chloro-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;1,3-dichloroisoquinoline;3-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;diphosphanyl-phosphanyl-(tetraphosphanyl)phosphane;methane;palladium
CID 159610417
2,6-Bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloropyridine;palladium;tetrakis(triphenylphosphane)
CID 159630540
3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-chloro-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;palladium;tetrakis(triphenylphosphane)
CID 159747110
3-Tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[4-tert-butyl-1-(oxan-2-yl)pyrrol-2-yl]isoquinoline;1,3-dichloroisoquinoline;palladium;tetrakis(triphenylphosphane)
CID 160210253
2,6-dichloropyridine;3-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;palladium;tetrakis(triphenylphosphane)
CID 160374932
3-chloro-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;1,3-dichloroisoquinoline;3-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;palladium;tetrakis(triphenylphosphane)
CID 161578079
2-Chloro-5-(9-pyridin-3-ylfluoren-9-yl)pyridine;3-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-2-(oxan-2-yl)-4,5,6,7-tetrahydroindazole;methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole
CID 161721900

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane) (CID 160679323) is 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane) is CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)nn3C3CCCCO3)nc(-c3cc(C(C)(C)C)nn3C3CCCCO3)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(Cl)nc(Cl)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(B2OC3(C)CC3(C)O2)n(C2CCCCO2)n1.[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 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane)?
The InChIKey is RNXVYKBUCMOLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H61N5O2.C19H23Cl2N.4C18H15P.C17H27BN2O3.Pd/c1-40(2,3)30-21-28(22-31(25-30)41(4,5)6)29-23-32(34-26-36(42(7,8)9)45-47(34)38-17-13-15-19-49-38)44-33(24-29)35-27-37(43(10,11)12)46-48(35)39-18-14-16-20-50-39;1-18(2,3)14-7-12(8-15(11-14)19(4,5)6)13-9-16(20)22-17(21)10-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)12-10-13(18-22-16(4)11-17(16,5)23-18)20(19-12)14-8-6-7-9-21-14;/h21-27,38-39H,13-20H2,1-12H3;7-11H,1-6H3;4*1-15H;10,14H,6-9,11H2,1-5H3;.
What are the key properties of 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane)?
2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2490.11 g/mol, XLogP of 34.03, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-4-(3,5-ditert-butylphenyl)pyridine;3-tert-butyl-5-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-(oxan-2-yl)pyrazole;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 160679323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).