5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione

C28H20O7P- — CID 5256778

IUPAC5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione
SMILESO=C1OP2([O-])(OC(=O)C(c3ccccc3)(c3ccccc3)O2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20O7P/c29-25-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)34-36(31,32-25)33-26(30)28(35-36,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q-1
InChIKeyCLZPLNJRSQHHIT-UHFFFAOYSA-N
MW499.44 g/mol
LogP4.51
Rot. Bonds4

About 5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione

5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione (PubChem CID 5256778) has the molecular formula C28H20O7P- and a molecular weight of 499.44 g/mol. Its IUPAC name is 5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione
PubChem CID5256778
Molecular FormulaC28H20O7P-
Molecular Weight499.44 g/mol
Exact Mass499.10
IUPAC Name5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione
SMILESO=C1OP2([O-])(OC(=O)C(c3ccccc3)(c3ccccc3)O2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20O7P/c29-25-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)34-36(31,32-25)33-26(30)28(35-36,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q-1
InChIKeyCLZPLNJRSQHHIT-UHFFFAOYSA-N
XLogP4.51
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one
CID 170652411
3-amino-5,5-diphenyl-2-sulfanylidene-1,3-oxazolidin-4-one
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(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one
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(5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one
CID 139914960
(1S,5S)-6,6-dimethyl-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 131856201

Frequently Asked Questions

What is the IUPAC name of 5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione (CID 5256778) is 5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione is O=C1OP2([O-])(OC(=O)C(c3ccccc3)(c3ccccc3)O2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione?
The InChIKey is CLZPLNJRSQHHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O7P/c29-25-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)34-36(31,32-25)33-26(30)28(35-36,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q-1.
What are the key properties of 5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione?
5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione has a molecular weight of 499.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 5256778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).