9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene

C24H30O6P2 — CID 130362615

IUPAC9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene
SMILESCCOP(=O)(OCC)C(=Cc1c2ccccc2cc2ccccc12)P(=O)(OCC)OCC
InChIInChI=1S/C24H30O6P2/c1-5-27-31(25,28-6-2)24(32(26,29-7-3)30-8-4)18-23-21-15-11-9-13-19(21)17-20-14-10-12-16-22(20)23/h9-18H,5-8H2,1-4H3
InChIKeyFFBFZSFLAOADHS-UHFFFAOYSA-N
MW476.45 g/mol
LogP7.82
Rot. Bonds11

About 9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene

9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene (PubChem CID 130362615) has the molecular formula C24H30O6P2 and a molecular weight of 476.45 g/mol. Its IUPAC name is 9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene.

Molecular Properties

Compound Name9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene
PubChem CID130362615
Molecular FormulaC24H30O6P2
Molecular Weight476.45 g/mol
Exact Mass476.15
IUPAC Name9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene
SMILESCCOP(=O)(OCC)C(=Cc1c2ccccc2cc2ccccc12)P(=O)(OCC)OCC
InChIInChI=1S/C24H30O6P2/c1-5-27-31(25,28-6-2)24(32(26,29-7-3)30-8-4)18-23-21-15-11-9-13-19(21)17-20-14-10-12-16-22(20)23/h9-18H,5-8H2,1-4H3
InChIKeyFFBFZSFLAOADHS-UHFFFAOYSA-N
XLogP7.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.45
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene?
The IUPAC name of 9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene (CID 130362615) is 9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene.
What is the SMILES notation for 9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene?
The canonical SMILES for 9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene is CCOP(=O)(OCC)C(=Cc1c2ccccc2cc2ccccc12)P(=O)(OCC)OCC.
What is the InChIKey of 9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene?
The InChIKey is FFBFZSFLAOADHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6P2/c1-5-27-31(25,28-6-2)24(32(26,29-7-3)30-8-4)18-23-21-15-11-9-13-19(21)17-20-14-10-12-16-22(20)23/h9-18H,5-8H2,1-4H3.
What are the key properties of 9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene?
9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene has a molecular weight of 476.45 g/mol, XLogP of 7.82, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,2-bis(diethoxyphosphoryl)ethenyl]anthracene is sourced from PubChem (CID 130362615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).