4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine

C30H28BNO2 — CID 142384799

About 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine

4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine (PubChem CID 142384799) has the molecular formula C30H28BNO2 and a molecular weight of 445.37 g/mol. Its IUPAC name is 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine.

Molecular Properties

• Compound Name: 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine
• PubChem CID: 142384799
• Molecular Formula: C30H28BNO2
• Molecular Weight: 445.37 g/mol
• Exact Mass: 445.22
• IUPAC Name: 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine
• SMILES: CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccncc2)c2ccccc2-3)OC1(C)C
• InChI: InChI=1S/C30H28BNO2/c1-28(2)29(3,4)34-31(33-28)23-14-15-25-24-12-8-9-13-26(24)30(27(25)20-23,21-10-6-5-7-11-21)22-16-18-32-19-17-22/h5-20H,1-4H3
• InChIKey: TUTKMKLUHFCHRZ-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.37
LogP ≤ 5	5.74
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 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine?

The IUPAC name of 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine (CID 142384799) is 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine.

What is the SMILES notation for 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine?

The canonical SMILES for 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine is CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccncc2)c2ccccc2-3)OC1(C)C.

What is the InChIKey of 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine?

The InChIKey is TUTKMKLUHFCHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BNO2/c1-28(2)29(3,4)34-31(33-28)23-14-15-25-24-12-8-9-13-26(24)30(27(25)20-23,21-10-6-5-7-11-21)22-16-18-32-19-17-22/h5-20H,1-4H3.

What are the key properties of 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine?

4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine has a molecular weight of 445.37 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine is sourced from PubChem (CID 142384799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).