tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide

C164H66B3F80I3O4 — CID 157234836

IUPACtris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide
SMILESC=Cc1ccc(COc2c(F)c(F)c([B-](c3c(F)c(F)c(OCc4ccc(C=C)cc4)c(F)c3F)(c3c(F)c(F)c(OCc4ccc(C=C)cc4)c(F)c3F)c3c(F)c(F)c(OCc4ccc(C=C)cc4)c(F)c3F)c(F)c2F)cc1.FC(F)=C(F)c1c(F)c(F)c([B-](c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)(c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)c(F)c1F.Fc1c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c(F)c1[B-](c1c(F)c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c1F)(c1c(F)c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c1F)c1c(F)c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c1F.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C60H36BF16O4.C36BF36.C32BF28.3C12H10I/c1-5-29-9-17-33(18-10-29)25-78-57-49(70)41(62)37(42(63)50(57)71)61(38-43(64)51(72)58(52(73)44(38)65)79-26-34-19-11-30(6-2)12-20-34,39-45(66)53(74)59(54(75)46(39)67)80-27-35-21-13-31(7-3)14-22-35)40-47(68)55(76)60(56(77)48(40)69)81-28-36-23-15-32(8-4)16-24-36;38-9-1(25(54)29(58,59)30(25,60)61)10(39)18(47)5(17(9)46)37(6-19(48)11(40)2(12(41)20(6)49)26(55)31(62,63)32(26,64)65,7-21(50)13(42)3(14(43)22(7)51)27(56)33(66,67)34(27,68)69)8-23(52)15(44)4(16(45)24(8)53)28(57)35(70,71)36(28,72)73;34-9-1(17(42)29(54)55)10(35)22(47)5(21(9)46)33(6-23(48)11(36)2(12(37)24(6)49)18(43)30(56)57,7-25(50)13(38)3(14(39)26(7)51)19(44)31(58)59)8-27(52)15(40)4(16(41)28(8)53)20(45)32(60)61;3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-24H,1-4,25-28H2;;;3*1-10H/q3*-1;3*+1
InChIKeyAUMYKNPFSNBSON-UHFFFAOYSA-N
MW4033.32 g/mol
LogP36.14
Rot. Bonds42

About tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide

tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide (PubChem CID 157234836) has the molecular formula C164H66B3F80I3O4 and a molecular weight of 4033.32 g/mol. Its IUPAC name is tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide.

Molecular Properties

Compound Nametris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide
PubChem CID157234836
Molecular FormulaC164H66B3F80I3O4
Molecular Weight4033.32 g/mol
Exact Mass4032.11
IUPAC Nametris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide
SMILESC=Cc1ccc(COc2c(F)c(F)c([B-](c3c(F)c(F)c(OCc4ccc(C=C)cc4)c(F)c3F)(c3c(F)c(F)c(OCc4ccc(C=C)cc4)c(F)c3F)c3c(F)c(F)c(OCc4ccc(C=C)cc4)c(F)c3F)c(F)c2F)cc1.FC(F)=C(F)c1c(F)c(F)c([B-](c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)(c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)c(F)c1F.Fc1c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c(F)c1[B-](c1c(F)c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c1F)(c1c(F)c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c1F)c1c(F)c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c1F.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C60H36BF16O4.C36BF36.C32BF28.3C12H10I/c1-5-29-9-17-33(18-10-29)25-78-57-49(70)41(62)37(42(63)50(57)71)61(38-43(64)51(72)58(52(73)44(38)65)79-26-34-19-11-30(6-2)12-20-34,39-45(66)53(74)59(54(75)46(39)67)80-27-35-21-13-31(7-3)14-22-35)40-47(68)55(76)60(56(77)48(40)69)81-28-36-23-15-32(8-4)16-24-36;38-9-1(25(54)29(58,59)30(25,60)61)10(39)18(47)5(17(9)46)37(6-19(48)11(40)2(12(41)20(6)49)26(55)31(62,63)32(26,64)65,7-21(50)13(42)3(14(43)22(7)51)27(56)33(66,67)34(27,68)69)8-23(52)15(44)4(16(45)24(8)53)28(57)35(70,71)36(28,72)73;34-9-1(17(42)29(54)55)10(35)22(47)5(21(9)46)33(6-23(48)11(36)2(12(37)24(6)49)18(43)30(56)57,7-25(50)13(38)3(14(39)26(7)51)19(44)31(58)59)8-27(52)15(40)4(16(41)28(8)53)20(45)32(60)61;3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-24H,1-4,25-28H2;;;3*1-10H/q3*-1;3*+1
InChIKeyAUMYKNPFSNBSON-UHFFFAOYSA-N
XLogP36.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds42
Heavy Atoms254
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004033.32
LogP ≤ 536.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide with MolForge

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Related Compounds

4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol
CID 140941316
lithium;diphenyliodanium;bis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide)
CID 158087081
sodium;diphenyliodanium;bis(tris(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 157128982
4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorobenzenesulfonate
CID 59554726
sodium;chloro(diphenyl)-λ3-iodane;diphenyliodanium;bis((4-ethenylphenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 159834004
(4-ethenylphenyl)-[4-[(3-ethyloxetan-3-yl)methoxymethyl]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide
CID 157409532
bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium
CID 22370886
1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene
CID 14232060
diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium
CID 140508798
N-[4-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59306565
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
bis(4-ethenylphenyl)iodanium
CID 152799244

Frequently Asked Questions

What is the IUPAC name of tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide?
The IUPAC name of tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide (CID 157234836) is tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide.
What is the SMILES notation for tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide?
The canonical SMILES for tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide is C=Cc1ccc(COc2c(F)c(F)c([B-](c3c(F)c(F)c(OCc4ccc(C=C)cc4)c(F)c3F)(c3c(F)c(F)c(OCc4ccc(C=C)cc4)c(F)c3F)c3c(F)c(F)c(OCc4ccc(C=C)cc4)c(F)c3F)c(F)c2F)cc1.FC(F)=C(F)c1c(F)c(F)c([B-](c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)(c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)c(F)c1F.Fc1c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c(F)c1[B-](c1c(F)c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c1F)(c1c(F)c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c1F)c1c(F)c(F)c(C2(F)C(F)(F)C2(F)F)c(F)c1F.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide?
The InChIKey is AUMYKNPFSNBSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36BF16O4.C36BF36.C32BF28.3C12H10I/c1-5-29-9-17-33(18-10-29)25-78-57-49(70)41(62)37(42(63)50(57)71)61(38-43(64)51(72)58(52(73)44(38)65)79-26-34-19-11-30(6-2)12-20-34,39-45(66)53(74)59(54(75)46(39)67)80-27-35-21-13-31(7-3)14-22-35)40-47(68)55(76)60(56(77)48(40)69)81-28-36-23-15-32(8-4)16-24-36;38-9-1(25(54)29(58,59)30(25,60)61)10(39)18(47)5(17(9)46)37(6-19(48)11(40)2(12(41)20(6)49)26(55)31(62,63)32(26,64)65,7-21(50)13(42)3(14(43)22(7)51)27(56)33(66,67)34(27,68)69)8-23(52)15(44)4(16(45)24(8)53)28(57)35(70,71)36(28,72)73;34-9-1(17(42)29(54)55)10(35)22(47)5(21(9)46)33(6-23(48)11(36)2(12(37)24(6)49)18(43)30(56)57,7-25(50)13(38)3(14(39)26(7)51)19(44)31(58)59)8-27(52)15(40)4(16(41)28(8)53)20(45)32(60)61;3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-24H,1-4,25-28H2;;;3*1-10H/q3*-1;3*+1.
What are the key properties of tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide?
tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide has a molecular weight of 4033.32 g/mol, XLogP of 36.14, 42 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diphenyliodanium);tetrakis[4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2,3,3-pentafluorocyclopropyl)phenyl]boranuide;tetrakis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide is sourced from PubChem (CID 157234836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).