6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

C28H24O4P2 — CID 122684857

About 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 122684857) has the molecular formula C28H24O4P2 and a molecular weight of 486.44 g/mol. Its IUPAC name is 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

• Compound Name: 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
• PubChem CID: 122684857
• Molecular Formula: C28H24O4P2
• Molecular Weight: 486.44 g/mol
• Exact Mass: 486.11
• IUPAC Name: 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
• SMILES: CCC(CP1(=O)Oc2ccccc2-c2ccccc21)P1(=O)Oc2ccccc2-c2ccccc21
• InChI: InChI=1S/C28H24O4P2/c1-2-20(34(30)28-18-10-6-14-24(28)22-12-4-8-16-26(22)32-34)19-33(29)27-17-9-5-13-23(27)21-11-3-7-15-25(21)31-33/h3-18,20H,2,19H2,1H3
• InChIKey: VCZOTDJPDGAMRM-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.44
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

The IUPAC name of 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (CID 122684857) is 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.

What is the SMILES notation for 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

The canonical SMILES for 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is CCC(CP1(=O)Oc2ccccc2-c2ccccc21)P1(=O)Oc2ccccc2-c2ccccc21.

What is the InChIKey of 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

The InChIKey is VCZOTDJPDGAMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O4P2/c1-2-20(34(30)28-18-10-6-14-24(28)22-12-4-8-16-26(22)32-34)19-33(29)27-17-9-5-13-23(27)21-11-3-7-15-25(21)31-33/h3-18,20H,2,19H2,1H3.

What are the key properties of 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?

6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 486.44 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 122684857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).