9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C70H70B3BrN4O6 — CID 159147815

About 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159147815) has the molecular formula C70H70B3BrN4O6 and a molecular weight of 1175.69 g/mol. Its IUPAC name is 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;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: 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159147815
• Molecular Formula: C70H70B3BrN4O6
• Molecular Weight: 1175.69 g/mol
• Exact Mass: 1174.48
• IUPAC Name: 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc2c(c1)c1c3ccn(-c4ccccc4)c3ccc1n2-c1ccccc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c2c4ccn(-c5ccccc5)c4ccc2n3-c2ccccc2)OC1(C)C
• InChI: InChI=1S/C32H29BN2O2.C26H17BrN2.C12H24B2O4/c1-31(2)32(3,4)37-33(36-31)22-15-16-28-26(21-22)30-25-19-20-34(23-11-7-5-8-12-23)27(25)17-18-29(30)35(28)24-13-9-6-10-14-24;27-18-11-12-24-22(17-18)26-21-15-16-28(19-7-3-1-4-8-19)23(21)13-14-25(26)29(24)20-9-5-2-6-10-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-21H,1-4H3;1-17H;1-8H3
• InChIKey: KIXFYMBFGCVTHX-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 75.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1175.69
LogP ≤ 5	16.77
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 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;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 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159147815) is 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;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 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;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 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc2c(c1)c1c3ccn(-c4ccccc4)c3ccc1n2-c1ccccc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c2c4ccn(-c5ccccc5)c4ccc2n3-c2ccccc2)OC1(C)C.

What is the InChIKey of 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is KIXFYMBFGCVTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29BN2O2.C26H17BrN2.C12H24B2O4/c1-31(2)32(3,4)37-33(36-31)22-15-16-28-26(21-22)30-25-19-20-34(23-11-7-5-8-12-23)27(25)17-18-29(30)35(28)24-13-9-6-10-14-24;27-18-11-12-24-22(17-18)26-21-15-16-28(19-7-3-1-4-8-19)23(21)13-14-25(26)29(24)20-9-5-2-6-10-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-21H,1-4H3;1-17H;1-8H3.

What are the key properties of 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;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 1175.69 g/mol, XLogP of 16.77, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;3,6-diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole;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 159147815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).