6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane)

C120H104BBrCl2F6O9P2PdS2 — CID 159078706

About 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane)

6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane) (PubChem CID 159078706) has the molecular formula C120H104BBrCl2F6O9P2PdS2 and a molecular weight of 2198.25 g/mol. Its IUPAC name is 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane)
• PubChem CID: 159078706
• Molecular Formula: C120H104BBrCl2F6O9P2PdS2
• Molecular Weight: 2198.25 g/mol
• Exact Mass: 2194.42
• IUPAC Name: 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane)
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(O)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Cc1ccc2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2c1.Cl[Pd]Cl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.Oc1ccc2cc(Br)ccc2c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C26H22.C25H20O.C21H25BO2.2C18H15P.C10H7BrO.C2F6O5S2.2ClH.Pd/c1-17-8-9-19-15-20(11-10-18(19)14-17)21-12-13-23-22-6-4-5-7-24(22)26(2,3)25(23)16-21;1-25(2)23-6-4-3-5-21(23)22-12-10-19(15-24(22)25)16-7-8-18-14-20(26)11-9-17(18)13-16;1-19(2)17-10-8-7-9-15(17)16-12-11-14(13-18(16)19)22-23-20(3,4)21(5,6)24-22;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-9-3-1-8-6-10(12)4-2-7(8)5-9;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;;;/h4-16H,1-3H3;3-15,26H,1-2H3;7-13H,1-6H3;2*1-15H;1-6,12H;;2*1H;/q;;;;;;;;;+2/p-2
• InChIKey: KAORPXWLPPXKMO-UHFFFAOYSA-L
• XLogP: 30.21
• TPSA: 136.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2198.25
LogP ≤ 5	30.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane)?

The IUPAC name of 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane) (CID 159078706) is 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane).

What is the SMILES notation for 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane)?

The canonical SMILES for 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane) is CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(O)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Cc1ccc2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2c1.Cl[Pd]Cl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.Oc1ccc2cc(Br)ccc2c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane)?

The InChIKey is KAORPXWLPPXKMO-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H22.C25H20O.C21H25BO2.2C18H15P.C10H7BrO.C2F6O5S2.2ClH.Pd/c1-17-8-9-19-15-20(11-10-18(19)14-17)21-12-13-23-22-6-4-5-7-24(22)26(2,3)25(23)16-21;1-25(2)23-6-4-3-5-21(23)22-12-10-19(15-24(22)25)16-7-8-18-14-20(26)11-9-17(18)13-16;1-19(2)17-10-8-7-9-15(17)16-12-11-14(13-18(16)19)22-23-20(3,4)21(5,6)24-22;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-9-3-1-8-6-10(12)4-2-7(8)5-9;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;;;/h4-16H,1-3H3;3-15,26H,1-2H3;7-13H,1-6H3;2*1-15H;1-6,12H;;2*1H;/q;;;;;;;;;+2/p-2.

What are the key properties of 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane)?

6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane) has a molecular weight of 2198.25 g/mol, XLogP of 30.21, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane) is sourced from PubChem (CID 159078706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).