bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)

C116H154B10Br4O20 — CID 160901429

IUPACbis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
SMILESBrc1c2ccccc2c(Br)c2ccccc12.Brc1c2ccccc2c(Br)c2ccccc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2c3ccccc3c(B3OC(C)(C)C(C)(C)O3)c3ccccc23)OC1(C)C.CC1(C)OB(c2c3ccccc3c(B3OC(C)(C)C(C)(C)O3)c3ccccc23)OC1(C)C.CC1(C)OBOC1(C)C.CC1(C)OBOC1(C)C
InChIInChI=1S/2C26H32B2O4.2C14H8Br2.2C12H24B2O4.2C6H13BO2/c2*1-23(2)24(3,4)30-27(29-23)21-17-13-9-11-15-19(17)22(20-16-12-10-14-18(20)21)28-31-25(5,6)26(7,8)32-28;2*15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*1-5(2)6(3,4)9-7-8-5/h2*9-16H,1-8H3;2*1-8H;2*1-8H3;2*7H,1-4H3
InChIKeySPOBQTMYJMZBSQ-UHFFFAOYSA-N
MW2296.22 g/mol
LogP26.43
Rot. Bonds6

About bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)

bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) (PubChem CID 160901429) has the molecular formula C116H154B10Br4O20 and a molecular weight of 2296.22 g/mol. Its IUPAC name is bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane).

Molecular Properties

Compound Namebis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
PubChem CID160901429
Molecular FormulaC116H154B10Br4O20
Molecular Weight2296.22 g/mol
Exact Mass2292.87
IUPAC Namebis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
SMILESBrc1c2ccccc2c(Br)c2ccccc12.Brc1c2ccccc2c(Br)c2ccccc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2c3ccccc3c(B3OC(C)(C)C(C)(C)O3)c3ccccc23)OC1(C)C.CC1(C)OB(c2c3ccccc3c(B3OC(C)(C)C(C)(C)O3)c3ccccc23)OC1(C)C.CC1(C)OBOC1(C)C.CC1(C)OBOC1(C)C
InChIInChI=1S/2C26H32B2O4.2C14H8Br2.2C12H24B2O4.2C6H13BO2/c2*1-23(2)24(3,4)30-27(29-23)21-17-13-9-11-15-19(17)22(20-16-12-10-14-18(20)21)28-31-25(5,6)26(7,8)32-28;2*15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*1-5(2)6(3,4)9-7-8-5/h2*9-16H,1-8H3;2*1-8H;2*1-8H3;2*7H,1-4H3
InChIKeySPOBQTMYJMZBSQ-UHFFFAOYSA-N
XLogP26.43
TPSA184.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds6
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002296.22
LogP ≤ 526.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(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-(10-bromo-2-methylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123523359
4,4,5,5-tetramethyl-2-[10-(4-methylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 58836110
4,4,5,5-tetramethyl-2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 22240186
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine
CID 142543722
4,4,5,5-tetramethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 154726226
1-bromo-4-phenylbenzene;methane;4,4,5,5-tetramethyl-2-(4-phenylphenyl)-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;iodide
CID 158116304
2-(3-bromo-2,6-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138987118
4-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]benzonitrile
CID 140824444
2,4-diphenyl-6-[4-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 140793140
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane
CID 122392974
20-bromo-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-1,3,2-dioxaborolane
CID 159585291

Frequently Asked Questions

What is the IUPAC name of bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(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 bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) (CID 160901429) is bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(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 bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(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 bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) is Brc1c2ccccc2c(Br)c2ccccc12.Brc1c2ccccc2c(Br)c2ccccc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2c3ccccc3c(B3OC(C)(C)C(C)(C)O3)c3ccccc23)OC1(C)C.CC1(C)OB(c2c3ccccc3c(B3OC(C)(C)C(C)(C)O3)c3ccccc23)OC1(C)C.CC1(C)OBOC1(C)C.CC1(C)OBOC1(C)C.
What is the InChIKey of bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)?
The InChIKey is SPOBQTMYJMZBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H32B2O4.2C14H8Br2.2C12H24B2O4.2C6H13BO2/c2*1-23(2)24(3,4)30-27(29-23)21-17-13-9-11-15-19(17)22(20-16-12-10-14-18(20)21)28-31-25(5,6)26(7,8)32-28;2*15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*1-5(2)6(3,4)9-7-8-5/h2*9-16H,1-8H3;2*1-8H;2*1-8H3;2*7H,1-4H3.
What are the key properties of bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)?
bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(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 2296.22 g/mol, XLogP of 26.43, 6 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(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 160901429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).