dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium

C184H127B4F64N3O — CID 159098522

IUPACdimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium
SMILESC=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.CCCC[N+](CCCC)(CCCC)CCCC.C[N+](C)(C)c1ccccc1.C[NH+](C)c1ccccc1.c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/4C32H12BF16.C23H17O.C16H36N.C9H14N.C8H11N/c4*1-5-9-17(34)25(42)13(26(43)18(9)35)33(14-27(44)19(36)10(6-2)20(37)28(14)45,15-29(46)21(38)11(7-3)22(39)30(15)47)16-31(48)23(40)12(8-4)24(41)32(16)49;1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-10(2,3)9-7-5-4-6-8-9;1-9(2)8-6-4-3-5-7-8/h4*5-8H,1-4H2;1-17H;5-16H2,1-4H3;4-8H,1-3H3;3-7H,1-2H3/q4*-1;3*+1;/p+1
InChIKeyKCYZZWKBHKQTIC-UHFFFAOYSA-O
MW3655.18 g/mol
LogP45.36
Rot. Bonds49

About dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium

dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium (PubChem CID 159098522) has the molecular formula C184H127B4F64N3O and a molecular weight of 3655.18 g/mol. Its IUPAC name is dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium.

Molecular Properties

Compound Namedimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium
PubChem CID159098522
Molecular FormulaC184H127B4F64N3O
Molecular Weight3655.18 g/mol
Exact Mass3653.93
IUPAC Namedimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium
SMILESC=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.CCCC[N+](CCCC)(CCCC)CCCC.C[N+](C)(C)c1ccccc1.C[NH+](C)c1ccccc1.c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/4C32H12BF16.C23H17O.C16H36N.C9H14N.C8H11N/c4*1-5-9-17(34)25(42)13(26(43)18(9)35)33(14-27(44)19(36)10(6-2)20(37)28(14)45,15-29(46)21(38)11(7-3)22(39)30(15)47)16-31(48)23(40)12(8-4)24(41)32(16)49;1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-10(2,3)9-7-5-4-6-8-9;1-9(2)8-6-4-3-5-7-8/h4*5-8H,1-4H2;1-17H;5-16H2,1-4H3;4-8H,1-3H3;3-7H,1-2H3/q4*-1;3*+1;/p+1
InChIKeyKCYZZWKBHKQTIC-UHFFFAOYSA-O
XLogP45.36
TPSA15.74 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds49
Heavy Atoms256
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003655.18
LogP ≤ 545.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium with MolForge

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Related Compounds

tetrabutylazanium;bis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);2,4,6-triphenylpyrylium
CID 159290597
bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium
CID 22370886
dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(4-prop-2-enylphenyl)boranuide
CID 139690846
heptyl-octadecyl-phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 175728546
dimethyl(phenyl)azanium;tetrakis(1,3,4,5,6-pentafluoronaphthalen-2-yl)boranuide
CID 164564276
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
lithium;diphenyliodanium;bis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide)
CID 158087081
sodium;diphenyliodanium;bis((4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 158993376
sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide
CID 142744683
2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
hexadecyl(trimethyl)azanium;trimethyl(phenyl)azanium;dibromide
CID 159457087
dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide
CID 173197853

Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium?
The IUPAC name of dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium (CID 159098522) is dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium.
What is the SMILES notation for dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium?
The canonical SMILES for dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium is C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.CCCC[N+](CCCC)(CCCC)CCCC.C[N+](C)(C)c1ccccc1.C[NH+](C)c1ccccc1.c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1.
What is the InChIKey of dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium?
The InChIKey is KCYZZWKBHKQTIC-UHFFFAOYSA-O. The full InChI is InChI=1S/4C32H12BF16.C23H17O.C16H36N.C9H14N.C8H11N/c4*1-5-9-17(34)25(42)13(26(43)18(9)35)33(14-27(44)19(36)10(6-2)20(37)28(14)45,15-29(46)21(38)11(7-3)22(39)30(15)47)16-31(48)23(40)12(8-4)24(41)32(16)49;1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-10(2,3)9-7-5-4-6-8-9;1-9(2)8-6-4-3-5-7-8/h4*5-8H,1-4H2;1-17H;5-16H2,1-4H3;4-8H,1-3H3;3-7H,1-2H3/q4*-1;3*+1;/p+1.
What are the key properties of dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium?
dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium has a molecular weight of 3655.18 g/mol, XLogP of 45.36, 49 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)azanium;tetrabutylazanium;tetrakis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);trimethyl(phenyl)azanium;2,4,6-triphenylpyrylium is sourced from PubChem (CID 159098522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).