1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione

C48H70N2O14 — CID 163546715

IUPAC1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCc1cc(Nc2c(C)cc(C)cc2C)c2c(c1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C48H70N2O14/c1-36-33-37(2)46(38(3)34-36)50-42-35-39(45(49)44-43(42)47(51)40-7-5-6-8-41(40)48(44)52)9-10-54-13-14-56-17-18-58-21-22-60-25-26-62-29-30-64-32-31-63-28-27-61-24-23-59-20-19-57-16-15-55-12-11-53-4/h5-8,33-35,50H,9-32,49H2,1-4H3
InChIKeyFFQAPAPUXAJBPY-UHFFFAOYSA-N
MW899.09 g/mol
LogP5.08
Rot. Bonds38

About 1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione

1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione (PubChem CID 163546715) has the molecular formula C48H70N2O14 and a molecular weight of 899.09 g/mol. Its IUPAC name is 1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
PubChem CID163546715
Molecular FormulaC48H70N2O14
Molecular Weight899.09 g/mol
Exact Mass898.48
IUPAC Name1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCc1cc(Nc2c(C)cc(C)cc2C)c2c(c1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C48H70N2O14/c1-36-33-37(2)46(38(3)34-36)50-42-35-39(45(49)44-43(42)47(51)40-7-5-6-8-41(40)48(44)52)9-10-54-13-14-56-17-18-58-21-22-60-25-26-62-29-30-64-32-31-63-28-27-61-24-23-59-20-19-57-16-15-55-12-11-53-4/h5-8,33-35,50H,9-32,49H2,1-4H3
InChIKeyFFQAPAPUXAJBPY-UHFFFAOYSA-N
XLogP5.08
TPSA182.95 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds38
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500899.09
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione?
The IUPAC name of 1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione (CID 163546715) is 1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione.
What is the SMILES notation for 1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione?
The canonical SMILES for 1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCc1cc(Nc2c(C)cc(C)cc2C)c2c(c1N)C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione?
The InChIKey is FFQAPAPUXAJBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H70N2O14/c1-36-33-37(2)46(38(3)34-36)50-42-35-39(45(49)44-43(42)47(51)40-7-5-6-8-41(40)48(44)52)9-10-54-13-14-56-17-18-58-21-22-60-25-26-62-29-30-64-32-31-63-28-27-61-24-23-59-20-19-57-16-15-55-12-11-53-4/h5-8,33-35,50H,9-32,49H2,1-4H3.
What are the key properties of 1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione?
1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione has a molecular weight of 899.09 g/mol, XLogP of 5.08, 38 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2,4,6-trimethylanilino)anthracene-9,10-dione is sourced from PubChem (CID 163546715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).