2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine

C38H26BrN — CID 58793065

About 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine

2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine (PubChem CID 58793065) has the molecular formula C38H26BrN and a molecular weight of 576.54 g/mol. Its IUPAC name is 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine
• PubChem CID: 58793065
• Molecular Formula: C38H26BrN
• Molecular Weight: 576.54 g/mol
• Exact Mass: 575.12
• IUPAC Name: 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine
• SMILES: Brc1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)ccc1-2
• InChI: InChI=1S/C38H26BrN/c39-32-15-17-34-33-16-14-28(21-35(33)38(36(34)22-32)23-30-7-1-2-8-31(30)24-38)26-10-5-9-25(19-26)27-11-6-12-29(20-27)37-13-3-4-18-40-37/h1-22H,23-24H2
• InChIKey: ZJNGCWDPPZYRTP-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.54
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine?

The IUPAC name of 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine (CID 58793065) is 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine.

What is the SMILES notation for 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine?

The canonical SMILES for 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine is Brc1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)ccc1-2.

What is the InChIKey of 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine?

The InChIKey is ZJNGCWDPPZYRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26BrN/c39-32-15-17-34-33-16-14-28(21-35(33)38(36(34)22-32)23-30-7-1-2-8-31(30)24-38)26-10-5-9-25(19-26)27-11-6-12-29(20-27)37-13-3-4-18-40-37/h1-22H,23-24H2.

What are the key properties of 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine?

2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine has a molecular weight of 576.54 g/mol, XLogP of 9.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 58793065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).