[8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite

C42H28O11P2 — CID 89185135

IUPAC[8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite
SMILESO=Cc1ccccc1OP(Oc1ccccc1C=O)Oc1cccc2c1C(=O)c1c(cccc1OP(Oc1ccccc1C=O)Oc1ccccc1C=O)C2
InChIInChI=1S/C42H28O11P2/c43-24-30-11-1-5-17-34(30)48-54(49-35-18-6-2-12-31(35)25-44)52-38-21-9-15-28-23-29-16-10-22-39(41(29)42(47)40(28)38)53-55(50-36-19-7-3-13-32(36)26-45)51-37-20-8-4-14-33(37)27-46/h1-22,24-27H,23H2
InChIKeyMDCRBWNOWPIYPJ-UHFFFAOYSA-N
MW770.62 g/mol
LogP9.60
Rot. Bonds16

About [8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite

[8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite (PubChem CID 89185135) has the molecular formula C42H28O11P2 and a molecular weight of 770.62 g/mol. Its IUPAC name is [8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite.

Molecular Properties

Compound Name[8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite
PubChem CID89185135
Molecular FormulaC42H28O11P2
Molecular Weight770.62 g/mol
Exact Mass770.11
IUPAC Name[8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite
SMILESO=Cc1ccccc1OP(Oc1ccccc1C=O)Oc1cccc2c1C(=O)c1c(cccc1OP(Oc1ccccc1C=O)Oc1ccccc1C=O)C2
InChIInChI=1S/C42H28O11P2/c43-24-30-11-1-5-17-34(30)48-54(49-35-18-6-2-12-31(35)25-44)52-38-21-9-15-28-23-29-16-10-22-39(41(29)42(47)40(28)38)53-55(50-36-19-7-3-13-32(36)26-45)51-37-20-8-4-14-33(37)27-46/h1-22,24-27H,23H2
InChIKeyMDCRBWNOWPIYPJ-UHFFFAOYSA-N
XLogP9.60
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500770.62
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite?
The IUPAC name of [8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite (CID 89185135) is [8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite.
What is the SMILES notation for [8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite?
The canonical SMILES for [8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite is O=Cc1ccccc1OP(Oc1ccccc1C=O)Oc1cccc2c1C(=O)c1c(cccc1OP(Oc1ccccc1C=O)Oc1ccccc1C=O)C2.
What is the InChIKey of [8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite?
The InChIKey is MDCRBWNOWPIYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O11P2/c43-24-30-11-1-5-17-34(30)48-54(49-35-18-6-2-12-31(35)25-44)52-38-21-9-15-28-23-29-16-10-22-39(41(29)42(47)40(28)38)53-55(50-36-19-7-3-13-32(36)26-45)51-37-20-8-4-14-33(37)27-46/h1-22,24-27H,23H2.
What are the key properties of [8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite?
[8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite has a molecular weight of 770.62 g/mol, XLogP of 9.60, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [8-bis(2-formylphenoxy)phosphanyloxy-9-oxo-10H-anthracen-1-yl] bis(2-formylphenyl) phosphite is sourced from PubChem (CID 89185135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).