6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide

C24H16O4P2 — CID 88764425

IUPAC6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(OP2Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C24H16O4P2/c25-30(24-16-8-4-12-20(24)18-10-2-6-14-22(18)27-30)28-29-23-15-7-3-11-19(23)17-9-1-5-13-21(17)26-29/h1-16H
InChIKeyQCNIWDLLBILKNG-UHFFFAOYSA-N
MW430.34 g/mol
LogP6.28
Rot. Bonds2

About 6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide

6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 88764425) has the molecular formula C24H16O4P2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID88764425
Molecular FormulaC24H16O4P2
Molecular Weight430.34 g/mol
Exact Mass430.05
IUPAC Name6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(OP2Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C24H16O4P2/c25-30(24-16-8-4-12-20(24)18-10-2-6-14-22(18)27-30)28-29-23-15-7-3-11-19(23)17-9-1-5-13-21(17)26-29/h1-16H
InChIKeyQCNIWDLLBILKNG-UHFFFAOYSA-N
XLogP6.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.34
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide (CID 88764425) is 6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide is O=P1(OP2Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is QCNIWDLLBILKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O4P2/c25-30(24-16-8-4-12-20(24)18-10-2-6-14-22(18)27-30)28-29-23-15-7-3-11-19(23)17-9-1-5-13-21(17)26-29/h1-16H.
What are the key properties of 6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 430.34 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 88764425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).