2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C58H74B4Br2N2O8 — CID 157414358

About 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157414358) has the molecular formula C58H74B4Br2N2O8 and a molecular weight of 1130.29 g/mol. Its IUPAC name is 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157414358
• Molecular Formula: C58H74B4Br2N2O8
• Molecular Weight: 1130.29 g/mol
• Exact Mass: 1128.42
• IUPAC Name: 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCn1c2c(c3cc(B4OC(C)(C)C(C)(C)O4)ccc31)Cc1cc(B3OC(C)(C)C(C)(C)O3)ccc1-2.CCn1c2c(c3cc(Br)ccc31)Cc1cc(Br)ccc1-2
• InChI: InChI=1S/C29H37B2NO4.C17H13Br2N.C12H24B2O4/c1-10-32-24-14-12-20(31-35-28(6,7)29(8,9)36-31)17-22(24)23-16-18-15-19(11-13-21(18)25(23)32)30-33-26(2,3)27(4,5)34-30;1-2-20-16-6-4-12(19)9-14(16)15-8-10-7-11(18)3-5-13(10)17(15)20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h11-15,17H,10,16H2,1-9H3;3-7,9H,2,8H2,1H3;1-8H3
• InChIKey: BOQYIIWHQDKYRD-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 83.70 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1130.29
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;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 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157414358) is 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;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 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;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 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;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.CCn1c2c(c3cc(B4OC(C)(C)C(C)(C)O4)ccc31)Cc1cc(B3OC(C)(C)C(C)(C)O3)ccc1-2.CCn1c2c(c3cc(Br)ccc31)Cc1cc(Br)ccc1-2.

What is the InChIKey of 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is BOQYIIWHQDKYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37B2NO4.C17H13Br2N.C12H24B2O4/c1-10-32-24-14-12-20(31-35-28(6,7)29(8,9)36-31)17-22(24)23-16-18-15-19(11-13-21(18)25(23)32)30-33-26(2,3)27(4,5)34-30;1-2-20-16-6-4-12(19)9-14(16)15-8-10-7-11(18)3-5-13(10)17(15)20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h11-15,17H,10,16H2,1-9H3;3-7,9H,2,8H2,1H3;1-8H3.

What are the key properties of 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;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 1130.29 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dibromo-5-ethyl-10H-indeno[1,2-b]indole;5-ethyl-2,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10H-indeno[1,2-b]indole;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 157414358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).