1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione

C58H64N8O6 — CID 42623744

IUPAC1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione
SMILESO=C1c2c(NCCN3CCOC3c3ccccc3)ccc(NCCN3CCOC3c3ccccc3)c2C(=O)c2c(NCCN3CCOC3c3ccccc3)ccc(NCCN3CCOC3c3ccccc3)c21
InChIInChI=1S/C58H64N8O6/c67-53-49-45(59-25-29-63-33-37-69-55(63)41-13-5-1-6-14-41)21-22-46(60-26-30-64-34-38-70-56(64)42-15-7-2-8-16-42)50(49)54(68)52-48(62-28-32-66-36-40-72-58(66)44-19-11-4-12-20-44)24-23-47(51(52)53)61-27-31-65-35-39-71-57(65)43-17-9-3-10-18-43/h1-24,55-62H,25-40H2
InChIKeyMHACEZRRVMZYBF-UHFFFAOYSA-N
MW969.20 g/mol
LogP8.23
Rot. Bonds20

About 1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione

1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione (PubChem CID 42623744) has the molecular formula C58H64N8O6 and a molecular weight of 969.20 g/mol. Its IUPAC name is 1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione.

Molecular Properties

Compound Name1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione
PubChem CID42623744
Molecular FormulaC58H64N8O6
Molecular Weight969.20 g/mol
Exact Mass968.49
IUPAC Name1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione
SMILESO=C1c2c(NCCN3CCOC3c3ccccc3)ccc(NCCN3CCOC3c3ccccc3)c2C(=O)c2c(NCCN3CCOC3c3ccccc3)ccc(NCCN3CCOC3c3ccccc3)c21
InChIInChI=1S/C58H64N8O6/c67-53-49-45(59-25-29-63-33-37-69-55(63)41-13-5-1-6-14-41)21-22-46(60-26-30-64-34-38-70-56(64)42-15-7-2-8-16-42)50(49)54(68)52-48(62-28-32-66-36-40-72-58(66)44-19-11-4-12-20-44)24-23-47(51(52)53)61-27-31-65-35-39-71-57(65)43-17-9-3-10-18-43/h1-24,55-62H,25-40H2
InChIKeyMHACEZRRVMZYBF-UHFFFAOYSA-N
XLogP8.23
TPSA132.14 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.20
LogP ≤ 58.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione 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 1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione?
The IUPAC name of 1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione (CID 42623744) is 1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione.
What is the SMILES notation for 1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione?
The canonical SMILES for 1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione is O=C1c2c(NCCN3CCOC3c3ccccc3)ccc(NCCN3CCOC3c3ccccc3)c2C(=O)c2c(NCCN3CCOC3c3ccccc3)ccc(NCCN3CCOC3c3ccccc3)c21.
What is the InChIKey of 1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione?
The InChIKey is MHACEZRRVMZYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H64N8O6/c67-53-49-45(59-25-29-63-33-37-69-55(63)41-13-5-1-6-14-41)21-22-46(60-26-30-64-34-38-70-56(64)42-15-7-2-8-16-42)50(49)54(68)52-48(62-28-32-66-36-40-72-58(66)44-19-11-4-12-20-44)24-23-47(51(52)53)61-27-31-65-35-39-71-57(65)43-17-9-3-10-18-43/h1-24,55-62H,25-40H2.
What are the key properties of 1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione?
1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione has a molecular weight of 969.20 g/mol, XLogP of 8.23, 20 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetrakis[2-(2-phenyl-1,3-oxazolidin-3-yl)ethylamino]anthracene-9,10-dione is sourced from PubChem (CID 42623744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).