benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane

C186H212BrN15O10PdS6Si4Sn-4 — CID 162093085

About benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane

benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane (PubChem CID 162093085) has the molecular formula C186H212BrN15O10PdS6Si4Sn-4 and a molecular weight of 3427.62 g/mol. Its IUPAC name is benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane.

Molecular Properties

• Compound Name: benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane
• PubChem CID: 162093085
• Molecular Formula: C186H212BrN15O10PdS6Si4Sn-4
• Molecular Weight: 3427.62 g/mol
• Exact Mass: 3424.12
• IUPAC Name: benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1cccs1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(-c2cccs2)c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(-c2cccs2)c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.[Pd].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C38H51N5O4S2Si2.C34H48BrN5O4SSi2.C26H23N5O2S2.4C12H10.4C6H5.C4H3S.3C4H9.Pd.Sn/c1-50(2,3)23-18-46-27-42(28-47-19-24-51(4,5)6)38-35(34-13-10-20-48-34)36(30-16-21-49(44,45)22-17-30)41-37-32(26-40-43(37)38)31-14-15-33(39-25-31)29-11-8-7-9-12-29;1-46(2,3)20-16-43-24-39(25-44-17-21-47(4,5)6)34-31(35)32(27-14-18-45(41,42)19-15-27)38-33-29(23-37-40(33)34)28-12-13-30(36-22-28)26-10-8-7-9-11-26;27-25-23(22-7-4-12-34-22)24(18-10-13-35(32,33)14-11-18)30-26-20(16-29-31(25)26)19-8-9-21(28-15-19)17-5-2-1-3-6-17;4*1-3-7-11(8-4-1)12-9-5-2-6-10-12;4*1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-3-4-2;;/h7-15,20,25-26,30H,16-19,21-24,27-28H2,1-6H3;7-13,22-23,27H,14-21,24-25H2,1-6H3;1-9,12,15-16,18H,10-11,13-14,27H2;4*1-10H;4*1-5H;1-3H;3*1,3-4H2,2H3;;/q;;;;;;;4*-1
• InChIKey: YFTXQCZCRUGNJX-UHFFFAOYSA-N
• XLogP: 47.08
• TPSA: 301.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 47
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3427.62
LogP ≤ 5	47.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane?

The IUPAC name of benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane (CID 162093085) is benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane.

What is the SMILES notation for benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane?

The canonical SMILES for benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cccs1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(-c2cccs2)c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(-c2cccs2)c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.[Pd].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.

What is the InChIKey of benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane?

The InChIKey is YFTXQCZCRUGNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N5O4S2Si2.C34H48BrN5O4SSi2.C26H23N5O2S2.4C12H10.4C6H5.C4H3S.3C4H9.Pd.Sn/c1-50(2,3)23-18-46-27-42(28-47-19-24-51(4,5)6)38-35(34-13-10-20-48-34)36(30-16-21-49(44,45)22-17-30)41-37-32(26-40-43(37)38)31-14-15-33(39-25-31)29-11-8-7-9-12-29;1-46(2,3)20-16-43-24-39(25-44-17-21-47(4,5)6)34-31(35)32(27-14-18-45(41,42)19-15-27)38-33-29(23-37-40(33)34)28-12-13-30(36-22-28)26-10-8-7-9-11-26;27-25-23(22-7-4-12-34-22)24(18-10-13-35(32,33)14-11-18)30-26-20(16-29-31(25)26)19-8-9-21(28-15-19)17-5-2-1-3-6-17;4*1-3-7-11(8-4-1)12-9-5-2-6-10-12;4*1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-3-4-2;;/h7-15,20,25-26,30H,16-19,21-24,27-28H2,1-6H3;7-13,22-23,27H,14-21,24-25H2,1-6H3;1-9,12,15-16,18H,10-11,13-14,27H2;4*1-10H;4*1-5H;1-3H;3*1,3-4H2,2H3;;/q;;;;;;;4*-1;;;;;;.

What are the key properties of benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane?

benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane has a molecular weight of 3427.62 g/mol, XLogP of 47.08, 47 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;tetrakis(1,1'-biphenyl);6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;palladium;tributyl(thiophen-2-yl)stannane is sourced from PubChem (CID 162093085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).