9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

C51H55B2BrN2O5 — CID 157097942

About 9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (PubChem CID 157097942) has the molecular formula C51H55B2BrN2O5 and a molecular weight of 877.54 g/mol. Its IUPAC name is 9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
• PubChem CID: 157097942
• Molecular Formula: C51H55B2BrN2O5
• Molecular Weight: 877.54 g/mol
• Exact Mass: 876.35
• IUPAC Name: 9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
• SMILES: Brc1ccccc1-n1c2ccccc2c2ccccc21.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccccc2-n2c3ccccc3c3ccccc32)OC1(C)C
• InChI: InChI=1S/C24H24BNO2.C18H12BrN.C9H19BO3/c1-23(2)24(3,4)28-25(27-23)19-13-7-10-16-22(19)26-20-14-8-5-11-17(20)18-12-6-9-15-21(18)26;19-15-9-3-6-12-18(15)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20;1-7(2)11-10-12-8(3,4)9(5,6)13-10/h5-16H,1-4H3;1-12H;7H,1-6H3
• InChIKey: AFKRGWSAGZUYMP-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 56.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.54
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?

The IUPAC name of 9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (CID 157097942) is 9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

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

The canonical SMILES for 9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is Brc1ccccc1-n1c2ccccc2c2ccccc21.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccccc2-n2c3ccccc3c3ccccc32)OC1(C)C.

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

The InChIKey is AFKRGWSAGZUYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BNO2.C18H12BrN.C9H19BO3/c1-23(2)24(3,4)28-25(27-23)19-13-7-10-16-22(19)26-20-14-8-5-11-17(20)18-12-6-9-15-21(18)26;19-15-9-3-6-12-18(15)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20;1-7(2)11-10-12-8(3,4)9(5,6)13-10/h5-16H,1-4H3;1-12H;7H,1-6H3.

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

9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane has a molecular weight of 877.54 g/mol, XLogP of 12.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-bromophenyl)carbazole;9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is sourced from PubChem (CID 157097942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).