9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

C75H65B2BrN6O4 — CID 157489693

About 9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane (PubChem CID 157489693) has the molecular formula C75H65B2BrN6O4 and a molecular weight of 1215.91 g/mol. Its IUPAC name is 9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
• PubChem CID: 157489693
• Molecular Formula: C75H65B2BrN6O4
• Molecular Weight: 1215.91 g/mol
• Exact Mass: 1214.44
• IUPAC Name: 9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
• SMILES: Brc1cncc(-n2c3ccccc3c3ccccc32)c1.CC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)OC1(C)C.c1cc(-c2cncc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cncc(-n3c4ccccc4c4ccccc43)c2)c1
• InChI: InChI=1S/C40H26N4.C18H28B2O4.C17H11BrN2/c1-5-16-37-33(12-1)34-13-2-6-17-38(34)43(37)31-21-29(23-41-25-31)27-10-9-11-28(20-27)30-22-32(26-42-24-30)44-39-18-7-3-14-35(39)36-15-4-8-19-40(36)44;1-15(2)16(3,4)22-19(21-15)13-10-9-11-14(12-13)20-23-17(5,6)18(7,8)24-20;18-12-9-13(11-19-10-12)20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-26H;9-12H,1-8H3;1-11H
• InChIKey: BXCWVALCQWWHRJ-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 90.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1215.91
LogP ≤ 5	17.23
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-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The IUPAC name of 9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane (CID 157489693) is 9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The canonical SMILES for 9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane is Brc1cncc(-n2c3ccccc3c3ccccc32)c1.CC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)OC1(C)C.c1cc(-c2cncc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cncc(-n3c4ccccc4c4ccccc43)c2)c1.

What is the InChIKey of 9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The InChIKey is BXCWVALCQWWHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4.C18H28B2O4.C17H11BrN2/c1-5-16-37-33(12-1)34-13-2-6-17-38(34)43(37)31-21-29(23-41-25-31)27-10-9-11-28(20-27)30-22-32(26-42-24-30)44-39-18-7-3-14-35(39)36-15-4-8-19-40(36)44;1-15(2)16(3,4)22-19(21-15)13-10-9-11-14(12-13)20-23-17(5,6)18(7,8)24-20;18-12-9-13(11-19-10-12)20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-26H;9-12H,1-8H3;1-11H.

What are the key properties of 9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 1215.91 g/mol, XLogP of 17.23, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5-bromo-3-pyridinyl)carbazole;9-[5-[3-(5-carbazol-9-yl-3-pyridinyl)phenyl]-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 157489693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).