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)

C146H112BCl3N6O2P4PdS2 — CID 158848561

About 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)

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) (PubChem CID 158848561) has the molecular formula C146H112BCl3N6O2P4PdS2 and a molecular weight of 2394.16 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 158848561
• Molecular Formula: C146H112BCl3N6O2P4PdS2
• Molecular Weight: 2394.16 g/mol
• Exact Mass: 2390.54
• IUPAC Name: 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)
• SMILES: CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C34H20ClN3S.C31H27BO2S.4C18H15P.C9H5Cl2N3.Pd/c35-33-37-31(21-10-2-1-3-11-21)36-32(38-33)22-18-19-24-23-12-4-5-13-25(23)34(28(24)20-22)26-14-6-8-16-29(26)39-30-17-9-7-15-27(30)34;1-29(2)30(3,4)34-32(33-29)20-17-18-22-21-11-5-6-12-23(21)31(26(22)19-20)24-13-7-9-15-27(24)35-28-16-10-8-14-25(28)31;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;/h1-20H;5-19H,1-4H3;4*1-15H;1-5H
• InChIKey: IZDNWZSMZMHYIO-UHFFFAOYSA-N
• XLogP: 32.12
• TPSA: 95.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2394.16
LogP ≤ 5	32.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)n1.Clc1nc(Cl)nc(-c2ccccc2)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-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)?

The InChIKey is IZDNWZSMZMHYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20ClN3S.C31H27BO2S.4C18H15P.C9H5Cl2N3.Pd/c35-33-37-31(21-10-2-1-3-11-21)36-32(38-33)22-18-19-24-23-12-4-5-13-25(23)34(28(24)20-22)26-14-6-8-16-29(26)39-30-17-9-7-15-27(30)34;1-29(2)30(3,4)34-32(33-29)20-17-18-22-21-11-5-6-12-23(21)31(26(22)19-20)24-13-7-9-15-27(24)35-28-16-10-8-14-25(28)31;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;/h1-20H;5-19H,1-4H3;4*1-15H;1-5H;.

What are the key properties of 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)?

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) has a molecular weight of 2394.16 g/mol, XLogP of 32.12, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 158848561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).