fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane

C99H85B5F16 — CID 157065046

IUPACfluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(F)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.Fc1cc(F)c(B(c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)c(F)c1.Fc1cccc(F)c1B(c1c(F)cccc1F)c1c(F)cccc1F.c1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H33B.C18H6BF9.C18H9BF6.C18H22BF.C18H15B/c1-16-10-19(4)25(20(5)11-16)28(26-21(6)12-17(2)13-22(26)7)27-23(8)14-18(3)15-24(27)9;20-7-1-10(23)16(11(24)2-7)19(17-12(25)3-8(21)4-13(17)26)18-14(27)5-9(22)6-15(18)28;20-10-4-1-5-11(21)16(10)19(17-12(22)6-2-7-13(17)23)18-14(24)8-3-9-15(18)25;1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h10-15H,1-9H3;1-6H;1-9H;7-10H,1-6H3;1-15H
InChIKeyABTVTRMKZMLIIQ-UHFFFAOYSA-N
MW1632.80 g/mol
LogP17.29
Rot. Bonds14

About fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane

fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane (PubChem CID 157065046) has the molecular formula C99H85B5F16 and a molecular weight of 1632.80 g/mol. Its IUPAC name is fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Namefluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane
PubChem CID157065046
Molecular FormulaC99H85B5F16
Molecular Weight1632.80 g/mol
Exact Mass1632.69
IUPAC Namefluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(F)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.Fc1cc(F)c(B(c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)c(F)c1.Fc1cccc(F)c1B(c1c(F)cccc1F)c1c(F)cccc1F.c1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H33B.C18H6BF9.C18H9BF6.C18H22BF.C18H15B/c1-16-10-19(4)25(20(5)11-16)28(26-21(6)12-17(2)13-22(26)7)27-23(8)14-18(3)15-24(27)9;20-7-1-10(23)16(11(24)2-7)19(17-12(25)3-8(21)4-13(17)26)18-14(27)5-9(22)6-15(18)28;20-10-4-1-5-11(21)16(10)19(17-12(22)6-2-7-13(17)23)18-14(24)8-3-9-15(18)25;1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h10-15H,1-9H3;1-6H;1-9H;7-10H,1-6H3;1-15H
InChIKeyABTVTRMKZMLIIQ-UHFFFAOYSA-N
XLogP17.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001632.80
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane with MolForge

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Related Compounds

(2,6-difluorophenyl)-bis(2,4,6-trifluorophenyl)borane
CID 174149978
[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane
CID 102241957
bis[2-(bromomethyl)-4,6-dimethylphenyl]-phenylborane
CID 54284397
(3-methylphenyl)-diphenylborane
CID 145125944
(2,6-difluorophenyl)-bis[3-methyl-5-(trifluoromethyl)phenyl]borane
CID 174192227
[4-[8-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]naphthalen-1-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 102031859
(4-fluorophenyl)-diphenylborane
CID 57046052
[3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712995
4-[4-bis(2,4,6-trimethylphenyl)boranyl-3,5-dimethylphenyl]-N,N-diphenylaniline
CID 102186845
triphenylborane;tris(3-methylphenyl)phosphane
CID 87632532
bis(2,4,6-trimethylphenyl)-[4-[4-(2,4,6-trimethylphenyl)phenyl]phenyl]borane
CID 102047135
1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;toluene
CID 160743052

Frequently Asked Questions

What is the IUPAC name of fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane?
The IUPAC name of fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane (CID 157065046) is fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane?
The canonical SMILES for fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(F)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.Fc1cc(F)c(B(c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)c(F)c1.Fc1cccc(F)c1B(c1c(F)cccc1F)c1c(F)cccc1F.c1ccc(B(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane?
The InChIKey is ABTVTRMKZMLIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33B.C18H6BF9.C18H9BF6.C18H22BF.C18H15B/c1-16-10-19(4)25(20(5)11-16)28(26-21(6)12-17(2)13-22(26)7)27-23(8)14-18(3)15-24(27)9;20-7-1-10(23)16(11(24)2-7)19(17-12(25)3-8(21)4-13(17)26)18-14(27)5-9(22)6-15(18)28;20-10-4-1-5-11(21)16(10)19(17-12(22)6-2-7-13(17)23)18-14(24)8-3-9-15(18)25;1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h10-15H,1-9H3;1-6H;1-9H;7-10H,1-6H3;1-15H.
What are the key properties of fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane?
fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane has a molecular weight of 1632.80 g/mol, XLogP of 17.29, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-bis(2,4,6-trimethylphenyl)borane;triphenylborane;tris(2,6-difluorophenyl)borane;tris(2,4,6-trifluorophenyl)borane;tris(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 157065046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).