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

C32H24O4P2 — CID 132535600

IUPAC6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(CC(c2ccccc2)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C32H24O4P2/c33-37(30-20-10-6-16-26(30)24-14-4-8-18-28(24)35-37)22-32(23-12-2-1-3-13-23)38(34)31-21-11-7-17-27(31)25-15-5-9-19-29(25)36-38/h1-21,32H,22H2
InChIKeyFYBLUDBCAHYMHK-UHFFFAOYSA-N
MW534.49 g/mol
LogP8.05
Rot. Bonds4

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

6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 132535600) has the molecular formula C32H24O4P2 and a molecular weight of 534.49 g/mol. Its IUPAC name is 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID132535600
Molecular FormulaC32H24O4P2
Molecular Weight534.49 g/mol
Exact Mass534.11
IUPAC Name6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(CC(c2ccccc2)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C32H24O4P2/c33-37(30-20-10-6-16-26(30)24-14-4-8-18-28(24)35-37)22-32(23-12-2-1-3-13-23)38(34)31-21-11-7-17-27(31)25-15-5-9-19-29(25)36-38/h1-21,32H,22H2
InChIKeyFYBLUDBCAHYMHK-UHFFFAOYSA-N
XLogP8.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.49
LogP ≤ 58.05
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-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (CID 132535600) is 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is O=P1(CC(c2ccccc2)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is FYBLUDBCAHYMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O4P2/c33-37(30-20-10-6-16-26(30)24-14-4-8-18-28(24)35-37)22-32(23-12-2-1-3-13-23)38(34)31-21-11-7-17-27(31)25-15-5-9-19-29(25)36-38/h1-21,32H,22H2.
What are the key properties of 6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 534.49 g/mol, XLogP of 8.05, 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)-2-phenylethyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 132535600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).