1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid)

C213H241F9N10O19P5Pt5S3+9 — CID 159504087

About 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid)

1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid) (PubChem CID 159504087) has the molecular formula C213H241F9N10O19P5Pt5S3+9 and a molecular weight of 4642.76 g/mol. Its IUPAC name is 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid).

Molecular Properties

• Compound Name: 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid)
• PubChem CID: 159504087
• Molecular Formula: C213H241F9N10O19P5Pt5S3+9
• Molecular Weight: 4642.76 g/mol
• Exact Mass: 4639.41
• IUPAC Name: 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid)
• SMILES: C.CCCOc1cc(/C=C/c2ccncc2)c(OCC)cc1/C=C/c1ccncc1.CCCOc1cc(/C=C/c2ccncc2)c(OCCC)cc1/C=C/c1ccncc1.CCCOc1cc(/C=C/c2ccncc2)c(OCCC)cc1/C=C/c1ccncc1.CCCOc1cc(/C=C/c2ccncc2)c(OCCC)cc1/C=C/c1ccncc1.CCCOc1cc(/C=C/c2ccncc2)c(OCCC)cc1/C=C/c1ccncc1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[CH2-]CCCP.[CH2-]CCC[PH+](c1ccccc1)c1ccccc1.[CH2-]CCC[PH+](c1ccccc1)c1ccccc1.[CH2-]CCC[PH+](c1ccccc1)c1ccccc1.[CH2-]CCC[PH+](c1ccccc1)c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/4C26H28N2O2.C25H26N2O2.4C16H18P.C12H10.C4H10P.3CHF3O3S.CH4.5Pt/c4*1-3-17-29-25-19-24(8-6-22-11-15-28-16-12-22)26(30-18-4-2)20-23(25)7-5-21-9-13-27-14-10-21;1-3-17-29-25-19-22(7-5-20-9-13-26-14-10-20)24(28-4-2)18-23(25)8-6-21-11-15-27-16-12-21;4*1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-5;3*2-1(3,4)8(5,6)7;;;;;;/h4*5-16,19-20H,3-4,17-18H2,1-2H3;5-16,18-19H,3-4,17H2,1-2H3;4*4-13H,1-3,14H2;1-10H;1-5H2;3*(H,5,6,7);1H4;;;;;/q;;;;;4*-1;;-1;;;;;5*+2/p+4/b5*7-5+,8-6+
• InChIKey: ODPKNOZJYMONGH-IJCJBILDSA-R
• XLogP: 52.08
• TPSA: 384.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 72
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4642.76
LogP ≤ 5	52.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid)?

The IUPAC name of 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid) (CID 159504087) is 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid).

What is the SMILES notation for 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid)?

The canonical SMILES for 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid) is C.CCCOc1cc(/C=C/c2ccncc2)c(OCC)cc1/C=C/c1ccncc1.CCCOc1cc(/C=C/c2ccncc2)c(OCCC)cc1/C=C/c1ccncc1.CCCOc1cc(/C=C/c2ccncc2)c(OCCC)cc1/C=C/c1ccncc1.CCCOc1cc(/C=C/c2ccncc2)c(OCCC)cc1/C=C/c1ccncc1.CCCOc1cc(/C=C/c2ccncc2)c(OCCC)cc1/C=C/c1ccncc1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[CH2-]CCCP.[CH2-]CCC[PH+](c1ccccc1)c1ccccc1.[CH2-]CCC[PH+](c1ccccc1)c1ccccc1.[CH2-]CCC[PH+](c1ccccc1)c1ccccc1.[CH2-]CCC[PH+](c1ccccc1)c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid)?

The InChIKey is ODPKNOZJYMONGH-IJCJBILDSA-R. The full InChI is InChI=1S/4C26H28N2O2.C25H26N2O2.4C16H18P.C12H10.C4H10P.3CHF3O3S.CH4.5Pt/c4*1-3-17-29-25-19-24(8-6-22-11-15-28-16-12-22)26(30-18-4-2)20-23(25)7-5-21-9-13-27-14-10-21;1-3-17-29-25-19-22(7-5-20-9-13-26-14-10-20)24(28-4-2)18-23(25)8-6-21-11-15-27-16-12-21;4*1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-5;3*2-1(3,4)8(5,6)7;;;;;;/h4*5-16,19-20H,3-4,17-18H2,1-2H3;5-16,18-19H,3-4,17H2,1-2H3;4*4-13H,1-3,14H2;1-10H;1-5H2;3*(H,5,6,7);1H4;;;;;/q;;;;;4*-1;;-1;;;;;5*+2/p+4/b5*7-5+,8-6+;;;;;;;;;;;;;;;.

What are the key properties of 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid)?

1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid) has a molecular weight of 4642.76 g/mol, XLogP of 52.08, 72 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1'-biphenyl;tetrakis(butyl(diphenyl)phosphanium);butylphosphane;tetrakis(4-[(E)-2-[2,5-dipropoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine);4-[(E)-2-[2-ethoxy-5-propoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;methane;pentakis(platinum(2+));tris(trifluoromethanesulfonic acid) is sourced from PubChem (CID 159504087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).