triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate

C80H70F36N4P8 — CID 25188746

IUPACtriphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate
SMILESF[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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1ccc([P+](Cc2ccc(C[n+]3ccc(-c4cc[n+](Cc5ccc(C[n+]6ccc(-c7cc[n+](Cc8ccc(C[P+](c9ccccc9)(c9ccccc9)c9ccccc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C80H70N4P2.6F6P/c1-7-19-75(20-8-1)85(76-21-9-2-10-22-76,77-23-11-3-12-24-77)63-69-39-35-67(36-40-69)61-83-55-47-73(48-56-83)71-43-51-81(52-44-71)59-65-31-33-66(34-32-65)60-82-53-45-72(46-54-82)74-49-57-84(58-50-74)62-68-37-41-70(42-38-68)64-86(78-25-13-4-14-26-78,79-27-15-5-16-28-79)80-29-17-6-18-30-80;6*1-7(2,3,4,5)6/h1-58H,59-64H2;;;;;;/q+6;6*-1
InChIKeyURQYVKJHHYXAHG-UHFFFAOYSA-N
MW2019.19 g/mol
LogP33.65
Rot. Bonds20

About triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate

triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate (PubChem CID 25188746) has the molecular formula C80H70F36N4P8 and a molecular weight of 2019.19 g/mol. Its IUPAC name is triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate.

Molecular Properties

Compound Nametriphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate
PubChem CID25188746
Molecular FormulaC80H70F36N4P8
Molecular Weight2019.19 g/mol
Exact Mass2018.29
IUPAC Nametriphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate
SMILESF[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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1ccc([P+](Cc2ccc(C[n+]3ccc(-c4cc[n+](Cc5ccc(C[n+]6ccc(-c7cc[n+](Cc8ccc(C[P+](c9ccccc9)(c9ccccc9)c9ccccc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C80H70N4P2.6F6P/c1-7-19-75(20-8-1)85(76-21-9-2-10-22-76,77-23-11-3-12-24-77)63-69-39-35-67(36-40-69)61-83-55-47-73(48-56-83)71-43-51-81(52-44-71)59-65-31-33-66(34-32-65)60-82-53-45-72(46-54-82)74-49-57-84(58-50-74)62-68-37-41-70(42-38-68)64-86(78-25-13-4-14-26-78,79-27-15-5-16-28-79)80-29-17-6-18-30-80;6*1-7(2,3,4,5)6/h1-58H,59-64H2;;;;;;/q+6;6*-1
InChIKeyURQYVKJHHYXAHG-UHFFFAOYSA-N
XLogP33.65
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002019.19
LogP ≤ 533.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate?
The IUPAC name of triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate (CID 25188746) is triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate.
What is the SMILES notation for triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate?
The canonical SMILES for triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate is 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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1ccc([P+](Cc2ccc(C[n+]3ccc(-c4cc[n+](Cc5ccc(C[n+]6ccc(-c7cc[n+](Cc8ccc(C[P+](c9ccccc9)(c9ccccc9)c9ccccc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate?
The InChIKey is URQYVKJHHYXAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H70N4P2.6F6P/c1-7-19-75(20-8-1)85(76-21-9-2-10-22-76,77-23-11-3-12-24-77)63-69-39-35-67(36-40-69)61-83-55-47-73(48-56-83)71-43-51-81(52-44-71)59-65-31-33-66(34-32-65)60-82-53-45-72(46-54-82)74-49-57-84(58-50-74)62-68-37-41-70(42-38-68)64-86(78-25-13-4-14-26-78,79-27-15-5-16-28-79)80-29-17-6-18-30-80;6*1-7(2,3,4,5)6/h1-58H,59-64H2;;;;;;/q+6;6*-1.
What are the key properties of triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate?
triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate has a molecular weight of 2019.19 g/mol, XLogP of 33.65, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[4-[[4-[1-[[4-[[4-[1-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phosphanium hexahexafluorophosphate is sourced from PubChem (CID 25188746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).