8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C66H66B3ClO8 — CID 161494193

IUPAC8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3oc4c(-c5ccccc5)cc(-c5ccccc5)cc4c3c2)OC1(C)C.Clc1ccc2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c2c1
InChIInChI=1S/C30H27BO3.C24H15ClO.C12H24B2O4/c1-29(2)30(3,4)34-31(33-29)23-15-16-27-25(19-23)26-18-22(20-11-7-5-8-12-20)17-24(28(26)32-27)21-13-9-6-10-14-21;25-19-11-12-23-21(15-19)22-14-18(16-7-3-1-4-8-16)13-20(24(22)26-23)17-9-5-2-6-10-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-19H,1-4H3;1-15H;1-8H3
InChIKeyWFZHOKLWINPWRK-UHFFFAOYSA-N
MW1055.13 g/mol
LogP17.04
Rot. Bonds6

About 8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161494193) has the molecular formula C66H66B3ClO8 and a molecular weight of 1055.13 g/mol. Its IUPAC name is 8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID161494193
Molecular FormulaC66H66B3ClO8
Molecular Weight1055.13 g/mol
Exact Mass1054.47
IUPAC Name8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3oc4c(-c5ccccc5)cc(-c5ccccc5)cc4c3c2)OC1(C)C.Clc1ccc2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c2c1
InChIInChI=1S/C30H27BO3.C24H15ClO.C12H24B2O4/c1-29(2)30(3,4)34-31(33-29)23-15-16-27-25(19-23)26-18-22(20-11-7-5-8-12-20)17-24(28(26)32-27)21-13-9-6-10-14-21;25-19-11-12-23-21(15-19)22-14-18(16-7-3-1-4-8-16)13-20(24(22)26-23)17-9-5-2-6-10-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-19H,1-4H3;1-15H;1-8H3
InChIKeyWFZHOKLWINPWRK-UHFFFAOYSA-N
XLogP17.04
TPSA81.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.13
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161330237
4-chloro-2-phenylphenol;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160673019
2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane
CID 162009781
N,N-diphenyl-4-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-amine
CID 146734080
4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane
CID 168795820
4,4,5,5-tetramethyl-2-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,2-dioxaborolane
CID 169059379
CID 160737271
CID 160737271
2-chloro-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 160760969
9-(3,5-diphenylphenyl)-1,3-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 155600000
2-[3-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161002793
4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161494193) is 8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3oc4c(-c5ccccc5)cc(-c5ccccc5)cc4c3c2)OC1(C)C.Clc1ccc2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c2c1.
What is the InChIKey of 8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is WFZHOKLWINPWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27BO3.C24H15ClO.C12H24B2O4/c1-29(2)30(3,4)34-31(33-29)23-15-16-27-25(19-23)26-18-22(20-11-7-5-8-12-20)17-24(28(26)32-27)21-13-9-6-10-14-21;25-19-11-12-23-21(15-19)22-14-18(16-7-3-1-4-8-16)13-20(24(22)26-23)17-9-5-2-6-10-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-19H,1-4H3;1-15H;1-8H3.
What are the key properties of 8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1055.13 g/mol, XLogP of 17.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,4-diphenyldibenzofuran;2-(6,8-diphenyldibenzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161494193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).