2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate

C123H85B2F9O15S3 — CID 160777718

IUPAC2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate
SMILESCC1(C)OB(c2cccc3oc4ccccc4c23)OC1(C)C.O=S(=O)(Oc1cccc2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc12)C(F)(F)F.O=S(=O)(Oc1cccc2c(OS(=O)(=O)C(F)(F)F)cccc12)C(F)(F)F.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4c(-c5cccc6oc7ccccc7c56)cccc34)c3ccccc23)cc1
InChIInChI=1S/C42H26O.C31H19F3O3S.C20H15BO2.C18H19BO3.C12H6F6O6S2/c1-2-13-27(14-3-1)40-33-15-4-6-17-35(33)41(36-18-7-5-16-34(36)40)31-23-11-20-28-29(31)21-10-22-30(28)32-24-12-26-39-42(32)37-19-8-9-25-38(37)43-39;32-31(33,34)38(35,36)37-28-19-9-16-21-22(28)17-8-18-23(21)30-26-14-6-4-12-24(26)29(20-10-2-1-3-11-20)25-13-5-7-15-27(25)30;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;1-17(2)18(3,4)22-19(21-17)13-9-7-11-15-16(13)12-8-5-6-10-14(12)20-15;13-11(14,15)25(19,20)23-9-5-1-3-7-8(9)4-2-6-10(7)24-26(21,22)12(16,17)18/h1-26H;1-19H;1-13,22-23H;5-11H,1-4H3;1-6H
InChIKeySADZJXMVSVOFDB-UHFFFAOYSA-N
MW2091.82 g/mol
LogP31.28
Rot. Bonds14

About 2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate

2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate (PubChem CID 160777718) has the molecular formula C123H85B2F9O15S3 and a molecular weight of 2091.82 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate
PubChem CID160777718
Molecular FormulaC123H85B2F9O15S3
Molecular Weight2091.82 g/mol
Exact Mass2090.51
IUPAC Name2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate
SMILESCC1(C)OB(c2cccc3oc4ccccc4c23)OC1(C)C.O=S(=O)(Oc1cccc2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc12)C(F)(F)F.O=S(=O)(Oc1cccc2c(OS(=O)(=O)C(F)(F)F)cccc12)C(F)(F)F.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4c(-c5cccc6oc7ccccc7c56)cccc34)c3ccccc23)cc1
InChIInChI=1S/C42H26O.C31H19F3O3S.C20H15BO2.C18H19BO3.C12H6F6O6S2/c1-2-13-27(14-3-1)40-33-15-4-6-17-35(33)41(36-18-7-5-16-34(36)40)31-23-11-20-28-29(31)21-10-22-30(28)32-24-12-26-39-42(32)37-19-8-9-25-38(37)43-39;32-31(33,34)38(35,36)37-28-19-9-16-21-22(28)17-8-18-23(21)30-26-14-6-4-12-24(26)29(20-10-2-1-3-11-20)25-13-5-7-15-27(25)30;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;1-17(2)18(3,4)22-19(21-17)13-9-7-11-15-16(13)12-8-5-6-10-14(12)20-15;13-11(14,15)25(19,20)23-9-5-1-3-7-8(9)4-2-6-10(7)24-26(21,22)12(16,17)18/h1-26H;1-19H;1-13,22-23H;5-11H,1-4H3;1-6H
InChIKeySADZJXMVSVOFDB-UHFFFAOYSA-N
XLogP31.28
TPSA215.31 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.82
LogP ≤ 531.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate with MolForge

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Related Compounds

(10-naphthalen-1-ylanthracen-9-yl)boronic acid;4,4,5,5-tetramethyl-2-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 158492046
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781
[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl] trifluoromethanesulfonate;9-naphthalen-2-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;4,4,5,5-tetramethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 158882592
(12,12-diethylfluoreno[2,1-b][1]benzofuran-7-yl) trifluoromethanesulfonate
CID 134393203
4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 156631285
(3-dibenzofuran-1-yl-6-oxobenzo[c]chromen-8-yl) trifluoromethanesulfonate
CID 121242466
(3-methoxy-2-phenylphenyl) trifluoromethanesulfonate
CID 145126504
methane;[4-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;phenylboronic acid;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;trifluoro(phosphorosomethylsulfonyl)methane
CID 159770874
2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159630177
4,4,5,5-tetramethyl-2-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,2-dioxaborolane
CID 164808595
2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol
CID 145126487
2-[4-[1-(1-dibenzofuran-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161002794

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate?
The IUPAC name of 2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate (CID 160777718) is 2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate.
What is the SMILES notation for 2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate?
The canonical SMILES for 2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate is CC1(C)OB(c2cccc3oc4ccccc4c23)OC1(C)C.O=S(=O)(Oc1cccc2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc12)C(F)(F)F.O=S(=O)(Oc1cccc2c(OS(=O)(=O)C(F)(F)F)cccc12)C(F)(F)F.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4c(-c5cccc6oc7ccccc7c56)cccc34)c3ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate?
The InChIKey is SADZJXMVSVOFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O.C31H19F3O3S.C20H15BO2.C18H19BO3.C12H6F6O6S2/c1-2-13-27(14-3-1)40-33-15-4-6-17-35(33)41(36-18-7-5-16-34(36)40)31-23-11-20-28-29(31)21-10-22-30(28)32-24-12-26-39-42(32)37-19-8-9-25-38(37)43-39;32-31(33,34)38(35,36)37-28-19-9-16-21-22(28)17-8-18-23(21)30-26-14-6-4-12-24(26)29(20-10-2-1-3-11-20)25-13-5-7-15-27(25)30;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;1-17(2)18(3,4)22-19(21-17)13-9-7-11-15-16(13)12-8-5-6-10-14(12)20-15;13-11(14,15)25(19,20)23-9-5-1-3-7-8(9)4-2-6-10(7)24-26(21,22)12(16,17)18/h1-26H;1-19H;1-13,22-23H;5-11H,1-4H3;1-6H.
What are the key properties of 2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate?
2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate has a molecular weight of 2091.82 g/mol, XLogP of 31.28, 14 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(10-phenylanthracen-9-yl)boronic acid;1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;[5-(10-phenylanthracen-9-yl)naphthalen-1-yl] trifluoromethanesulfonate;[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate is sourced from PubChem (CID 160777718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).