2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane)

C165H134BBrO2P4Pd — CID 159440748

About 2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane)

2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane) (PubChem CID 159440748) has the molecular formula C165H134BBrO2P4Pd and a molecular weight of 2469.92 g/mol. Its IUPAC name is 2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 159440748
• Molecular Formula: C165H134BBrO2P4Pd
• Molecular Weight: 2469.92 g/mol
• Exact Mass: 2466.76
• IUPAC Name: 2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane)
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6c(ccc7ccc8ccccc8c76)c5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(Br)ccc4c3)cc21.[CH2+]C1(C)OB(c2ccc3c(ccc4ccc5ccccc5c43)c2)OC1(C)C.[CH3-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C43H30.C25H19Br.C24H22BO2.4C18H15P.CH3.Pd/c1-43(2)40-10-6-5-9-38(40)39-22-20-34(26-41(39)43)32-17-16-29-23-31(15-14-30(29)24-32)33-19-21-37-35(25-33)18-13-28-12-11-27-7-3-4-8-36(27)42(28)37;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;1-23(2)24(3,4)27-25(26-23)19-13-14-21-18(15-19)12-11-17-10-9-16-7-5-6-8-20(16)22(17)21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3-26H,1-2H3;3-15H,1-2H3;5-15H,1H2,2-4H3;4*1-15H;1H3;/q;;+1;;;;;-1
• InChIKey: LSDHBYCPSBXZKM-UHFFFAOYSA-N
• XLogP: 39.00
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2469.92
LogP ≤ 5	39.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of 2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane) (CID 159440748) is 2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for 2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for 2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane) is CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6c(ccc7ccc8ccccc8c76)c5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(Br)ccc4c3)cc21.[CH2+]C1(C)OB(c2ccc3c(ccc4ccc5ccccc5c43)c2)OC1(C)C.[CH3-].[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-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane)?

The InChIKey is LSDHBYCPSBXZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30.C25H19Br.C24H22BO2.4C18H15P.CH3.Pd/c1-43(2)40-10-6-5-9-38(40)39-22-20-34(26-41(39)43)32-17-16-29-23-31(15-14-30(29)24-32)33-19-21-37-35(25-33)18-13-28-12-11-27-7-3-4-8-36(27)42(28)37;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;1-23(2)24(3,4)27-25(26-23)19-13-14-21-18(15-19)12-11-17-10-9-16-7-5-6-8-20(16)22(17)21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3-26H,1-2H3;3-15H,1-2H3;5-15H,1H2,2-4H3;4*1-15H;1H3;/q;;+1;;;;;-1;.

What are the key properties of 2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane)?

2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2469.92 g/mol, XLogP of 39.00, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159440748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).