5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole

C32H28BNO2 — CID 145318504

About 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole

5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole (PubChem CID 145318504) has the molecular formula C32H28BNO2 and a molecular weight of 469.39 g/mol. Its IUPAC name is 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole
• PubChem CID: 145318504
• Molecular Formula: C32H28BNO2
• Molecular Weight: 469.39 g/mol
• Exact Mass: 469.22
• IUPAC Name: 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole
• SMILES: CC1(C)OB(c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc3ccccc3c2)OC1(C)C
• InChI: InChI=1S/C32H28BNO2/c1-31(2)32(3,4)36-33(35-31)25-14-16-29-28(20-25)27-18-23-11-7-8-12-24(23)19-30(27)34(29)26-15-13-21-9-5-6-10-22(21)17-26/h5-20H,1-4H3
• InChIKey: BYTXWONRMFSTIK-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.39
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole?

The IUPAC name of 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole (CID 145318504) is 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole.

What is the SMILES notation for 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole?

The canonical SMILES for 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole is CC1(C)OB(c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc3ccccc3c2)OC1(C)C.

What is the InChIKey of 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole?

The InChIKey is BYTXWONRMFSTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28BNO2/c1-31(2)32(3,4)36-33(35-31)25-14-16-29-28(20-25)27-18-23-11-7-8-12-24(23)19-30(27)34(29)26-15-13-21-9-5-6-10-22(21)17-26/h5-20H,1-4H3.

What are the key properties of 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole?

5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole has a molecular weight of 469.39 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole is sourced from PubChem (CID 145318504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).