lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

C55H62B2BrLiO7 — CID 158139159

IUPAClithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESBrc1cccc(-c2cccc3c2oc2ccccc23)c1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2cccc(-c3cccc4c3oc3ccccc34)c2)OC1(C)C.[CH2-]CCC.[Li+]
InChIInChI=1S/C24H23BO3.C18H11BrO.C9H19BO3.C4H9.Li/c1-23(2)24(3,4)28-25(27-23)17-10-7-9-16(15-17)18-12-8-13-20-19-11-5-6-14-21(19)26-22(18)20;19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16;1-7(2)11-10-12-8(3,4)9(5,6)13-10;1-3-4-2;/h5-15H,1-4H3;1-11H;7H,1-6H3;1,3-4H2,2H3;/q;;;-1;+1
InChIKeyYDDKMVSUXVWBTF-UHFFFAOYSA-N
MW943.56 g/mol
LogP12.19
Rot. Bonds6

About lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (PubChem CID 158139159) has the molecular formula C55H62B2BrLiO7 and a molecular weight of 943.56 g/mol. Its IUPAC name is lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Namelithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
PubChem CID158139159
Molecular FormulaC55H62B2BrLiO7
Molecular Weight943.56 g/mol
Exact Mass942.40
IUPAC Namelithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESBrc1cccc(-c2cccc3c2oc2ccccc23)c1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2cccc(-c3cccc4c3oc3ccccc34)c2)OC1(C)C.[CH2-]CCC.[Li+]
InChIInChI=1S/C24H23BO3.C18H11BrO.C9H19BO3.C4H9.Li/c1-23(2)24(3,4)28-25(27-23)17-10-7-9-16(15-17)18-12-8-13-20-19-11-5-6-14-21(19)26-22(18)20;19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16;1-7(2)11-10-12-8(3,4)9(5,6)13-10;1-3-4-2;/h5-15H,1-4H3;1-11H;7H,1-6H3;1,3-4H2,2H3;/q;;;-1;+1
InChIKeyYDDKMVSUXVWBTF-UHFFFAOYSA-N
XLogP12.19
TPSA72.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.56
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;3-bromo-9-(9,9'-spirobi[fluorene]-2-yl)carbazole;butane;9-(9,9'-spirobi[fluorene]-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
CID 158026856
4-bromodibenzofuran;2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane;iodide
CID 159504948
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 123270176
2-[3-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161002793
1-bromo-3,5-diphenylbenzene;2-(3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
CID 161230817
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 123749789
2-[4-[1-(1-dibenzofuran-4-yldibenzofuran-4-yl)dibenzofuran-4-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149342660
4,4,5,5-tetramethyl-2-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
CID 162429693
potassium;5-bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;2-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
CID 159388647
4,4,5,5-tetramethyl-2-[3-(2-phenylphenyl)phenyl]-1,3,2-dioxaborolane
CID 142728939
2,4-bis(3-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-[1]benzofuro[2,3-d]pyrimidine
CID 159169974

Frequently Asked Questions

What is the IUPAC name of lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The IUPAC name of lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (CID 158139159) is lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.
What is the SMILES notation for lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The canonical SMILES for lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is Brc1cccc(-c2cccc3c2oc2ccccc23)c1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2cccc(-c3cccc4c3oc3ccccc34)c2)OC1(C)C.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The InChIKey is YDDKMVSUXVWBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BO3.C18H11BrO.C9H19BO3.C4H9.Li/c1-23(2)24(3,4)28-25(27-23)17-10-7-9-16(15-17)18-12-8-13-20-19-11-5-6-14-21(19)26-22(18)20;19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16;1-7(2)11-10-12-8(3,4)9(5,6)13-10;1-3-4-2;/h5-15H,1-4H3;1-11H;7H,1-6H3;1,3-4H2,2H3;/q;;;-1;+1.
What are the key properties of lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane has a molecular weight of 943.56 g/mol, XLogP of 12.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-(3-bromophenyl)dibenzofuran;butane;2-(3-dibenzofuran-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is sourced from PubChem (CID 158139159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).