3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine

C34H30BNO2 — CID 150758755

About 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine

3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine (PubChem CID 150758755) has the molecular formula C34H30BNO2 and a molecular weight of 495.43 g/mol. Its IUPAC name is 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine.

Molecular Properties

• Compound Name: 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine
• PubChem CID: 150758755
• Molecular Formula: C34H30BNO2
• Molecular Weight: 495.43 g/mol
• Exact Mass: 495.24
• IUPAC Name: 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine
• SMILES: CC1(C)OB(c2ccc3c(c2)-c2c(ccc4ccccc24)C3(c2ccccc2)c2cccnc2)OC1(C)C
• InChI: InChI=1S/C34H30BNO2/c1-32(2)33(3,4)38-35(37-32)26-17-19-29-28(21-26)31-27-15-9-8-11-23(27)16-18-30(31)34(29,24-12-6-5-7-13-24)25-14-10-20-36-22-25/h5-22H,1-4H3
• InChIKey: JXJZARCHNMCRQQ-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.43
LogP ≤ 5	6.90
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 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine?

The IUPAC name of 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine (CID 150758755) is 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine.

What is the SMILES notation for 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine?

The canonical SMILES for 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine is CC1(C)OB(c2ccc3c(c2)-c2c(ccc4ccccc24)C3(c2ccccc2)c2cccnc2)OC1(C)C.

What is the InChIKey of 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine?

The InChIKey is JXJZARCHNMCRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30BNO2/c1-32(2)33(3,4)38-35(37-32)26-17-19-29-28(21-26)31-27-15-9-8-11-23(27)16-18-30(31)34(29,24-12-6-5-7-13-24)25-14-10-20-36-22-25/h5-22H,1-4H3.

What are the key properties of 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine?

3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine has a molecular weight of 495.43 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine is sourced from PubChem (CID 150758755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).