2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane

C127H159B7Br4O20 — CID 158874107

About 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane

2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane (PubChem CID 158874107) has the molecular formula C127H159B7Br4O20 and a molecular weight of 2400.95 g/mol. Its IUPAC name is 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane
• PubChem CID: 158874107
• Molecular Formula: C127H159B7Br4O20
• Molecular Weight: 2400.95 g/mol
• Exact Mass: 2396.88
• IUPAC Name: 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane
• SMILES: CC(C)(C)c1cc(Br)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(Br)c1O2.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)o2)OC1(C)C.CC1(C)OB(c2ccc3oc4ccc(B5OC(C)(C)C(C)(C)O5)cc4c3c2)OC1(C)C.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC1(C)c2cc(Br)ccc2Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Cc1ccc2c(c1)C(C)(C)c1cc(Br)ccc1O2
• InChI: InChI=1S/C27H36B2O5.C24H30B2O5.C23H28Br2O.C21H24BBrO3.C16H26B2O5.C16H15BrO/c1-23(2)19-15-17(28-31-24(3,4)25(5,6)32-28)11-13-21(19)30-22-14-12-18(16-20(22)23)29-33-26(7,8)27(9,10)34-29;1-21(2)22(3,4)29-25(28-21)15-9-11-19-17(13-15)18-14-16(10-12-20(18)27-19)26-30-23(5,6)24(7,8)31-26;1-21(2,3)13-9-15-19(17(24)11-13)26-20-16(23(15,7)8)10-14(12-18(20)25)22(4,5)6;1-19(2)15-11-13(22-25-20(3,4)21(5,6)26-22)7-9-17(15)24-18-10-8-14(23)12-16(18)19;1-13(2)14(3,4)21-17(20-13)11-9-10-12(19-11)18-22-15(5,6)16(7,8)23-18;1-10-4-6-14-12(8-10)16(2,3)13-9-11(17)5-7-15(13)18-14/h11-16H,1-10H3;9-14H,1-8H3;9-12H,1-8H3;7-12H,1-6H3;9-10H,1-8H3;4-9H,1-3H3
• InChIKey: JCFIGBIOPJIZJS-UHFFFAOYSA-N
• XLogP: 29.39
• TPSA: 192.42 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2400.95
LogP ≤ 5	29.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane?

The IUPAC name of 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane (CID 158874107) is 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane?

The canonical SMILES for 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane is CC(C)(C)c1cc(Br)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(Br)c1O2.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)o2)OC1(C)C.CC1(C)OB(c2ccc3oc4ccc(B5OC(C)(C)C(C)(C)O5)cc4c3c2)OC1(C)C.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC1(C)c2cc(Br)ccc2Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Cc1ccc2c(c1)C(C)(C)c1cc(Br)ccc1O2.

What is the InChIKey of 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane?

The InChIKey is JCFIGBIOPJIZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36B2O5.C24H30B2O5.C23H28Br2O.C21H24BBrO3.C16H26B2O5.C16H15BrO/c1-23(2)19-15-17(28-31-24(3,4)25(5,6)32-28)11-13-21(19)30-22-14-12-18(16-20(22)23)29-33-26(7,8)27(9,10)34-29;1-21(2)22(3,4)29-25(28-21)15-9-11-19-17(13-15)18-14-16(10-12-20(18)27-19)26-30-23(5,6)24(7,8)31-26;1-21(2,3)13-9-15-19(17(24)11-13)26-20-16(23(15,7)8)10-14(12-18(20)25)22(4,5)6;1-19(2)15-11-13(22-25-20(3,4)21(5,6)26-22)7-9-17(15)24-18-10-8-14(23)12-16(18)19;1-13(2)14(3,4)21-17(20-13)11-9-10-12(19-11)18-22-15(5,6)16(7,8)23-18;1-10-4-6-14-12(8-10)16(2,3)13-9-11(17)5-7-15(13)18-14/h11-16H,1-10H3;9-14H,1-8H3;9-12H,1-8H3;7-12H,1-6H3;9-10H,1-8H3;4-9H,1-3H3.

What are the key properties of 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane?

2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 2400.95 g/mol, XLogP of 29.39, 7 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-bromo-9,9-dimethylxanthen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-7,9,9-trimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)xanthen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 158874107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).