3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene

C56H37F2OP — CID 134596158

About 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene

3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene (PubChem CID 134596158) has the molecular formula C56H37F2OP and a molecular weight of 794.88 g/mol. Its IUPAC name is 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene.

Molecular Properties

• Compound Name: 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene
• PubChem CID: 134596158
• Molecular Formula: C56H37F2OP
• Molecular Weight: 794.88 g/mol
• Exact Mass: 794.26
• IUPAC Name: 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene
• SMILES: O=P(c1ccccc1)(c1ccc2c(c1)-c1cc(F)ccc1C2(c1ccccc1)c1ccccc1)c1ccc2c(c1)-c1cc(F)ccc1C2(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C56H37F2OP/c57-42-26-30-51-47(34-42)49-36-45(28-32-53(49)55(51,38-16-6-1-7-17-38)39-18-8-2-9-19-39)60(59,44-24-14-5-15-25-44)46-29-33-54-50(37-46)48-35-43(58)27-31-52(48)56(54,40-20-10-3-11-21-40)41-22-12-4-13-23-41/h1-37H
• InChIKey: KBQXUJSBSHDUEY-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.88
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene?

The IUPAC name of 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene (CID 134596158) is 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene.

What is the SMILES notation for 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene?

The canonical SMILES for 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene is O=P(c1ccccc1)(c1ccc2c(c1)-c1cc(F)ccc1C2(c1ccccc1)c1ccccc1)c1ccc2c(c1)-c1cc(F)ccc1C2(c1ccccc1)c1ccccc1.

What is the InChIKey of 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene?

The InChIKey is KBQXUJSBSHDUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37F2OP/c57-42-26-30-51-47(34-42)49-36-45(28-32-53(49)55(51,38-16-6-1-7-17-38)39-18-8-2-9-19-39)60(59,44-24-14-5-15-25-44)46-29-33-54-50(37-46)48-35-43(58)27-31-52(48)56(54,40-20-10-3-11-21-40)41-22-12-4-13-23-41/h1-37H.

What are the key properties of 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene?

3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene has a molecular weight of 794.88 g/mol, XLogP of 12.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-6-[(6-fluoro-9,9-diphenylfluoren-3-yl)-phenylphosphoryl]-9,9-diphenylfluorene is sourced from PubChem (CID 134596158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).