tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane

C111B4F81N3 — CID 158331273

IUPACtris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2B(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c2c(F)c(B(c3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3F)c3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3F)c(F)c(F)c2c1F.Fc1nc2c(F)c(B(c3c(F)c(F)c4c(F)c(F)c(F)nc4c3F)c3c(F)c(F)c4c(F)c(F)c(F)nc4c3F)c(F)c(F)c2c(F)c1F
InChIInChI=1S/C36BF27.C30BF21.C27BF18N3.C18BF15/c38-10-1(4-13(41)25(53)34(62)26(54)14(4)42)7(19(47)31(59)22(10)50)37(8-2(11(39)23(51)32(60)20(8)48)5-15(43)27(55)35(63)28(56)16(5)44)9-3(12(40)24(52)33(61)21(9)49)6-17(45)29(57)36(64)30(58)18(6)46;32-10-1-4(19(41)28(50)25(47)16(1)38)13(35)22(44)7(10)31(8-11(33)2-5(14(36)23(8)45)20(42)29(51)26(48)17(2)39)9-12(34)3-6(15(37)24(9)46)21(43)30(52)27(49)18(3)40;29-7-1-10(32)19(41)25(44)47-22(1)16(38)4(13(7)35)28(5-14(36)8(30)2-11(33)20(42)26(45)48-23(2)17(5)39)6-15(37)9(31)3-12(34)21(43)27(46)49-24(3)18(6)40;20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
InChIKeyGQAQWPOQLSEIOV-UHFFFAOYSA-N
MW2957.33 g/mol
LogP30.18
Rot. Bonds15

About tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane

tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane (PubChem CID 158331273) has the molecular formula C111B4F81N3 and a molecular weight of 2957.33 g/mol. Its IUPAC name is tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane.

Molecular Properties

Compound Nametris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
PubChem CID158331273
Molecular FormulaC111B4F81N3
Molecular Weight2957.33 g/mol
Exact Mass2956.92
IUPAC Nametris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2B(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c2c(F)c(B(c3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3F)c3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3F)c(F)c(F)c2c1F.Fc1nc2c(F)c(B(c3c(F)c(F)c4c(F)c(F)c(F)nc4c3F)c3c(F)c(F)c4c(F)c(F)c(F)nc4c3F)c(F)c(F)c2c(F)c1F
InChIInChI=1S/C36BF27.C30BF21.C27BF18N3.C18BF15/c38-10-1(4-13(41)25(53)34(62)26(54)14(4)42)7(19(47)31(59)22(10)50)37(8-2(11(39)23(51)32(60)20(8)48)5-15(43)27(55)35(63)28(56)16(5)44)9-3(12(40)24(52)33(61)21(9)49)6-17(45)29(57)36(64)30(58)18(6)46;32-10-1-4(19(41)28(50)25(47)16(1)38)13(35)22(44)7(10)31(8-11(33)2-5(14(36)23(8)45)20(42)29(51)26(48)17(2)39)9-12(34)3-6(15(37)24(9)46)21(43)30(52)27(49)18(3)40;29-7-1-10(32)19(41)25(44)47-22(1)16(38)4(13(7)35)28(5-14(36)8(30)2-11(33)20(42)26(45)48-23(2)17(5)39)6-15(37)9(31)3-12(34)21(43)27(46)49-24(3)18(6)40;20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
InChIKeyGQAQWPOQLSEIOV-UHFFFAOYSA-N
XLogP30.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms199
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002957.33
LogP ≤ 530.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane
CID 22456526
2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine
CID 130252584
[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-bis(2,3,6-trifluorophenyl)borane
CID 164532168
2,3,4,6,7,8-hexafluoro-1,5-naphthyridine
CID 146262522
tris[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]borane
CID 22500998
tris(2,3,4,5,7,8-hexafluoro-6-methylnaphthalen-1-yl)borane
CID 22501011
1,2,3,4,5,6,7,9,10-nonafluoro-8-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrene
CID 151112358
(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane
CID 141042613
2,3,4,5-tetrafluoro-6-methylpyridine
CID 15388342
1,2,3,4,5,6,8-heptafluoro-7-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]naphthalene
CID 121274455
2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine
CID 58820640
3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene
CID 166870449

Frequently Asked Questions

What is the IUPAC name of tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?
The IUPAC name of tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane (CID 158331273) is tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane.
What is the SMILES notation for tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?
The canonical SMILES for tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane is Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2B(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c2c(F)c(B(c3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3F)c3c(F)c(F)c4c(F)c(F)c(F)c(F)c4c3F)c(F)c(F)c2c1F.Fc1nc2c(F)c(B(c3c(F)c(F)c4c(F)c(F)c(F)nc4c3F)c3c(F)c(F)c4c(F)c(F)c(F)nc4c3F)c(F)c(F)c2c(F)c1F.
What is the InChIKey of tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?
The InChIKey is GQAQWPOQLSEIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36BF27.C30BF21.C27BF18N3.C18BF15/c38-10-1(4-13(41)25(53)34(62)26(54)14(4)42)7(19(47)31(59)22(10)50)37(8-2(11(39)23(51)32(60)20(8)48)5-15(43)27(55)35(63)28(56)16(5)44)9-3(12(40)24(52)33(61)21(9)49)6-17(45)29(57)36(64)30(58)18(6)46;32-10-1-4(19(41)28(50)25(47)16(1)38)13(35)22(44)7(10)31(8-11(33)2-5(14(36)23(8)45)20(42)29(51)26(48)17(2)39)9-12(34)3-6(15(37)24(9)46)21(43)30(52)27(49)18(3)40;29-7-1-10(32)19(41)25(44)47-22(1)16(38)4(13(7)35)28(5-14(36)8(30)2-11(33)20(42)26(45)48-23(2)17(5)39)6-15(37)9(31)3-12(34)21(43)27(46)49-24(3)18(6)40;20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25.
What are the key properties of tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?
tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane has a molecular weight of 2957.33 g/mol, XLogP of 30.18, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane is sourced from PubChem (CID 158331273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).