2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one

C42H24O8P2 — CID 142213193

About 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one

2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one (PubChem CID 142213193) has the molecular formula C42H24O8P2 and a molecular weight of 718.59 g/mol. Its IUPAC name is 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one.

Molecular Properties

• Compound Name: 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one
• PubChem CID: 142213193
• Molecular Formula: C42H24O8P2
• Molecular Weight: 718.59 g/mol
• Exact Mass: 718.09
• IUPAC Name: 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one
• SMILES: O=C1OP(Oc2ccc3ccccc3c2-c2c(OP3OC(=O)c4cc5ccccc5cc4O3)ccc3ccccc23)Oc2cc3ccccc3cc21
• InChI: InChI=1S/C42H24O8P2/c43-41-33-21-27-11-1-3-13-29(27)23-37(33)47-51(49-41)45-35-19-17-25-9-5-7-15-31(25)39(35)40-32-16-8-6-10-26(32)18-20-36(40)46-52-48-38-24-30-14-4-2-12-28(30)22-34(38)42(44)50-52/h1-24H
• InChIKey: RNLGWBPAHDPJTM-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.59
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one?

The IUPAC name of 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one (CID 142213193) is 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one.

What is the SMILES notation for 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one?

The canonical SMILES for 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one is O=C1OP(Oc2ccc3ccccc3c2-c2c(OP3OC(=O)c4cc5ccccc5cc4O3)ccc3ccccc23)Oc2cc3ccccc3cc21.

What is the InChIKey of 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one?

The InChIKey is RNLGWBPAHDPJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O8P2/c43-41-33-21-27-11-1-3-13-29(27)23-37(33)47-51(49-41)45-35-19-17-25-9-5-7-15-31(25)39(35)40-32-16-8-6-10-26(32)18-20-36(40)46-52-48-38-24-30-14-4-2-12-28(30)22-34(38)42(44)50-52/h1-24H.

What are the key properties of 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one?

2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one has a molecular weight of 718.59 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(4-oxobenzo[g][1,3,2]benzodioxaphosphinin-2-yl)oxynaphthalen-1-yl]naphthalen-2-yl]oxybenzo[g][1,3,2]benzodioxaphosphinin-4-one is sourced from PubChem (CID 142213193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).