9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C66H50BBrN14O2 — CID 160788644

About 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 160788644) has the molecular formula C66H50BBrN14O2 and a molecular weight of 1161.94 g/mol. Its IUPAC name is 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• PubChem CID: 160788644
• Molecular Formula: C66H50BBrN14O2
• Molecular Weight: 1161.94 g/mol
• Exact Mass: 1160.35
• IUPAC Name: 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• SMILES: Brc1cc(-c2cc3nccnc3[nH]2)nc(-c2cc3nccnc3[nH]2)c1.C1=C(c2cc(-n3c4ccccc4c4ccccc43)cc(C3=Cc4nccnc4C3)n2)Cc2nccnc21.CC1(C)OB(n2c3ccccc3c3ccccc32)OC1(C)C
• InChI: InChI=1S/C31H20N6.C18H20BNO2.C17H10BrN7/c1-3-7-30-22(5-1)23-6-2-4-8-31(23)37(30)21-17-24(19-13-26-27(14-19)33-10-9-32-26)36-25(18-21)20-15-28-29(16-20)35-12-11-34-28;1-17(2)18(3,4)22-19(21-17)20-15-11-7-5-9-13(15)14-10-6-8-12-16(14)20;18-9-5-10(12-7-14-16(24-12)21-3-1-19-14)23-11(6-9)13-8-15-17(25-13)22-4-2-20-15/h1-13,15,17-18H,14,16H2;5-12H,1-4H3;1-8H,(H,21,24)(H,22,25)
• InChIKey: SBNYRFMZKOCTNC-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 188.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1161.94
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The IUPAC name of 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 160788644) is 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

What is the SMILES notation for 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The canonical SMILES for 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is Brc1cc(-c2cc3nccnc3[nH]2)nc(-c2cc3nccnc3[nH]2)c1.C1=C(c2cc(-n3c4ccccc4c4ccccc43)cc(C3=Cc4nccnc4C3)n2)Cc2nccnc21.CC1(C)OB(n2c3ccccc3c3ccccc32)OC1(C)C.

What is the InChIKey of 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The InChIKey is SBNYRFMZKOCTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N6.C18H20BNO2.C17H10BrN7/c1-3-7-30-22(5-1)23-6-2-4-8-31(23)37(30)21-17-24(19-13-26-27(14-19)33-10-9-32-26)36-25(18-21)20-15-28-29(16-20)35-12-11-34-28;1-17(2)18(3,4)22-19(21-17)20-15-11-7-5-9-13(15)14-10-6-8-12-16(14)20;18-9-5-10(12-7-14-16(24-12)21-3-1-19-14)23-11(6-9)13-8-15-17(25-13)22-4-2-20-15/h1-13,15,17-18H,14,16H2;5-12H,1-4H3;1-8H,(H,21,24)(H,22,25).

What are the key properties of 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 1161.94 g/mol, XLogP of 13.90, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,6-bis(7H-cyclopenta[b]pyrazin-6-yl)-4-pyridinyl]carbazole;6-[4-bromo-6-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-5H-pyrrolo[2,3-b]pyrazine;9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 160788644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).