2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C25H27BO2 — CID 140892174

About 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 140892174) has the molecular formula C25H27BO2 and a molecular weight of 370.30 g/mol. Its IUPAC name is 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 140892174
• Molecular Formula: C25H27BO2
• Molecular Weight: 370.30 g/mol
• Exact Mass: 370.21
• IUPAC Name: 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)c2ccccc2-c2c1cc(B1OC(C)(C)C(C)(C)O1)c1ccccc21
• InChI: InChI=1S/C25H27BO2/c1-23(2)19-14-10-9-13-18(19)22-17-12-8-7-11-16(17)21(15-20(22)23)26-27-24(3,4)25(5,6)28-26/h7-15H,1-6H3
• InChIKey: JGCKUGBZEXUSKL-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.30
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 140892174) is 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)c2ccccc2-c2c1cc(B1OC(C)(C)C(C)(C)O1)c1ccccc21.

What is the InChIKey of 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is JGCKUGBZEXUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BO2/c1-23(2)19-14-10-9-13-18(19)22-17-12-8-7-11-16(17)21(15-20(22)23)26-27-24(3,4)25(5,6)28-26/h7-15H,1-6H3.

What are the key properties of 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 370.30 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 140892174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).