tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate

C103H106F18N15O16P3Pd3 — CID 139150818

About tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate

tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate (PubChem CID 139150818) has the molecular formula C103H106F18N15O16P3Pd3 and a molecular weight of 2564.22 g/mol. Its IUPAC name is tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate.

Molecular Properties

• Compound Name: tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate
• PubChem CID: 139150818
• Molecular Formula: C103H106F18N15O16P3Pd3
• Molecular Weight: 2564.22 g/mol
• Exact Mass: 2561.40
• IUPAC Name: tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate
• SMILES: CC#N.CC#N.CC#N.CCOCC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2].[Pd+2].[Pd+2].c1ccc2cc3[n-]cnc3cc2c1.c1ccc2cc3[n-]cnc3cc2c1.c1ccc2cc3[n-]cnc3cc2c1.c1cnc2c(c1)c1c(c3cccnc32)OCCOCCOCCOCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCOCCOCCOCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCOCCOCCOCCO1
• InChI: InChI=1S/3C20H22N2O5.3C11H7N2.C4H10O.3C2H3N.3F6P.3Pd/c3*1-3-15-17(21-5-1)18-16(4-2-6-22-18)20-19(15)26-13-11-24-9-7-23-8-10-25-12-14-27-20;3*1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1;1-3-5-4-2;3*1-2-3;3*1-7(2,3,4,5)6;;;/h3*1-6H,7-14H2;3*1-7H;3-4H2,1-2H3;3*1H3;;;;;;/q;;;3*-1;;;;;3*-1;3*+2
• InChIKey: UEPMEFYPJXSSGA-UHFFFAOYSA-N
• XLogP: 27.62
• TPSA: 377.36 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 2
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2564.22
LogP ≤ 5	27.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate?

The IUPAC name of tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate (CID 139150818) is tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate.

What is the SMILES notation for tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate?

The canonical SMILES for tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate is CC#N.CC#N.CC#N.CCOCC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2].[Pd+2].[Pd+2].c1ccc2cc3[n-]cnc3cc2c1.c1ccc2cc3[n-]cnc3cc2c1.c1ccc2cc3[n-]cnc3cc2c1.c1cnc2c(c1)c1c(c3cccnc32)OCCOCCOCCOCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCOCCOCCOCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCOCCOCCOCCO1.

What is the InChIKey of tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate?

The InChIKey is UEPMEFYPJXSSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H22N2O5.3C11H7N2.C4H10O.3C2H3N.3F6P.3Pd/c3*1-3-15-17(21-5-1)18-16(4-2-6-22-18)20-19(15)26-13-11-24-9-7-23-8-10-25-12-14-27-20;3*1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1;1-3-5-4-2;3*1-2-3;3*1-7(2,3,4,5)6;;;/h3*1-6H,7-14H2;3*1-7H;3-4H2,1-2H3;3*1H3;;;;;;/q;;;3*-1;;;;;3*-1;3*+2.

What are the key properties of tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate?

tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate has a molecular weight of 2564.22 g/mol, XLogP of 27.62, 2 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate is sourced from PubChem (CID 139150818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).