tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate

C180H192F24N4O32P4 — CID 139186691

About tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate

tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate (PubChem CID 139186691) has the molecular formula C180H192F24N4O32P4 and a molecular weight of 3503.36 g/mol. Its IUPAC name is tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate.

Molecular Properties

• Compound Name: tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate
• PubChem CID: 139186691
• Molecular Formula: C180H192F24N4O32P4
• Molecular Weight: 3503.36 g/mol
• Exact Mass: 3501.21
• IUPAC Name: tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate
• SMILES: CC12c3ccccc3C3(C)c4cc5c(cc41)OCCOCCOCCOc1cc4c(cc1OCCOCCOCCO5)C1(C)c5ccccc5C4(C)c4cc5c(cc41)OCCOCCOCCOc1cc3c2cc1OCCOCCOCCO5.CC12c3ccccc3C3(C)c4cc5c(cc41)OCCOCCOCCOc1cc4c(cc1OCCOCCOCCO5)C1(C)c5ccccc5C4(C)c4cc5c(cc41)OCCOCCOCCOc1cc3c2cc1OCCOCCOCCO5.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1ccc(-c2cc[nH+]cc2)cc1.c1ccc(-c2cc[nH+]cc2)cc1.c1ccc(-c2cc[nH+]cc2)cc1.c1ccc(-c2cc[nH+]cc2)cc1
• InChI: InChI=1S/2C68H76O16.4C11H9N.4F6P/c2*1-65-45-9-5-6-10-46(45)66(2)51-39-59-57(37-49(51)65)77-29-21-69-13-15-73-25-33-81-61-41-53-55(43-63(61)83-35-27-75-19-17-71-23-31-79-59)68(4)48-12-8-7-11-47(48)67(53,3)54-42-62-64(44-56(54)68)84-36-28-76-20-18-72-24-32-80-60-40-52(66)50(65)38-58(60)78-30-22-70-14-16-74-26-34-82-62;4*1-2-4-10(5-3-1)11-6-8-12-9-7-11;4*1-7(2,3,4,5)6/h2*5-12,37-44H,13-36H2,1-4H3;4*1-9H;;;;/q;;;;;;4*-1/p+4
• InChIKey: BJPMTQWPCHVMTA-UHFFFAOYSA-R
• XLogP: 40.72
• TPSA: 351.92 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 4
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3503.36
LogP ≤ 5	40.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate?

The IUPAC name of tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate (CID 139186691) is tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate.

What is the SMILES notation for tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate?

The canonical SMILES for tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate is CC12c3ccccc3C3(C)c4cc5c(cc41)OCCOCCOCCOc1cc4c(cc1OCCOCCOCCO5)C1(C)c5ccccc5C4(C)c4cc5c(cc41)OCCOCCOCCOc1cc3c2cc1OCCOCCOCCO5.CC12c3ccccc3C3(C)c4cc5c(cc41)OCCOCCOCCOc1cc4c(cc1OCCOCCOCCO5)C1(C)c5ccccc5C4(C)c4cc5c(cc41)OCCOCCOCCOc1cc3c2cc1OCCOCCOCCO5.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1ccc(-c2cc[nH+]cc2)cc1.c1ccc(-c2cc[nH+]cc2)cc1.c1ccc(-c2cc[nH+]cc2)cc1.c1ccc(-c2cc[nH+]cc2)cc1.

What is the InChIKey of tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate?

The InChIKey is BJPMTQWPCHVMTA-UHFFFAOYSA-R. The full InChI is InChI=1S/2C68H76O16.4C11H9N.4F6P/c2*1-65-45-9-5-6-10-46(45)66(2)51-39-59-57(37-49(51)65)77-29-21-69-13-15-73-25-33-81-61-41-53-55(43-63(61)83-35-27-75-19-17-71-23-31-79-59)68(4)48-12-8-7-11-47(48)67(53,3)54-42-62-64(44-56(54)68)84-36-28-76-20-18-72-24-32-80-60-40-52(66)50(65)38-58(60)78-30-22-70-14-16-74-26-34-82-62;4*1-2-4-10(5-3-1)11-6-8-12-9-7-11;4*1-7(2,3,4,5)6/h2*5-12,37-44H,13-36H2,1-4H3;4*1-9H;;;;/q;;;;;;4*-1/p+4.

What are the key properties of tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate?

tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate has a molecular weight of 3503.36 g/mol, XLogP of 40.72, 4 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(4-phenylpyridin-1-ium);bis(1,18,25,42-tetramethyl-5,8,11,14,29,32,35,38,46,49,52,55,62,65,68,71-hexadecaoxatridecacyclo[40.32.6.02,41.04,39.015,28.017,26.018,59.019,24.025,58.043,74.045,72.056,61.075,80]octaconta-2,4(39),15(28),16,19,21,23,26,40,43,45(72),56(61),57,59,73,75,77,79-octadecaene);tetrahexafluorophosphate is sourced from PubChem (CID 139186691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).