[1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium

C58H82N10O14+2 — CID 140664445

IUPAC[1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium
SMILESCN(C)CCNc1ccc(O)c2c1C(=O)c1c(O)ccc(NCCOCCOCCOCC/[NH+]=C(\N)CCCC/C(N)=[NH+]\CCOCCOCCOCCNc3ccc(O)c4c3C(=O)c3c(O)ccc(NCCN(C)C)c3C4=O)c1C2=O
InChIInChI=1S/C58H80N10O14/c1-67(2)23-17-61-37-9-13-41(69)51-47(37)55(73)53-43(71)15-11-39(49(53)57(51)75)63-19-25-77-29-33-81-35-31-79-27-21-65-45(59)7-5-6-8-46(60)66-22-28-80-32-36-82-34-30-78-26-20-64-40-12-16-44(72)54-50(40)58(76)52-42(70)14-10-38(48(52)56(54)74)62-18-24-68(3)4/h9-16,61-64,69-72H,5-8,17-36H2,1-4H3,(H2,59,65)(H2,60,66)/p+2
InChIKeyVXYAGZBMYSQLKO-UHFFFAOYSA-P
MW1143.35 g/mol
LogP0.07
Rot. Bonds39

About [1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium

[1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium (PubChem CID 140664445) has the molecular formula C58H82N10O14+2 and a molecular weight of 1143.35 g/mol. Its IUPAC name is [1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium.

Molecular Properties

Compound Name[1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium
PubChem CID140664445
Molecular FormulaC58H82N10O14+2
Molecular Weight1143.35 g/mol
Exact Mass1142.60
IUPAC Name[1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium
SMILESCN(C)CCNc1ccc(O)c2c1C(=O)c1c(O)ccc(NCCOCCOCCOCC/[NH+]=C(\N)CCCC/C(N)=[NH+]\CCOCCOCCOCCNc3ccc(O)c4c3C(=O)c3c(O)ccc(NCCN(C)C)c3C4=O)c1C2=O
InChIInChI=1S/C58H80N10O14/c1-67(2)23-17-61-37-9-13-41(69)51-47(37)55(73)53-43(71)15-11-39(49(53)57(51)75)63-19-25-77-29-33-81-35-31-79-27-21-65-45(59)7-5-6-8-46(60)66-22-28-80-32-36-82-34-30-78-26-20-64-40-12-16-44(72)54-50(40)58(76)52-42(70)14-10-38(48(52)56(54)74)62-18-24-68(3)4/h9-16,61-64,69-72H,5-8,17-36H2,1-4H3,(H2,59,65)(H2,60,66)/p+2
InChIKeyVXYAGZBMYSQLKO-UHFFFAOYSA-P
XLogP0.07
TPSA339.16 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001143.35
LogP ≤ 50.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

1,5-bis[2-[bis(trideuteriomethyl)amino]ethylamino]-4,8-dihydroxyanthracene-9,10-dione
CID 73296255
1-[[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]amino]-5-[2-(dimethylamino)ethylamino]-4,8-dihydroxyanthracene-9,10-dione
CID 129189561
1-[2-(dimethylamino)ethylamino]-4-hydroxy-5-[2-(methylamino)ethylamino]anthracene-9,10-dione
CID 90135956
1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione
CID 135183207
1-(butylamino)-4,8-dihydroxy-5-methylanthracene-9,10-dione
CID 123883482
1,5-dihydroxy-4,8-bis[2-(methylamino)ethylamino]anthracene-9,10-dione
CID 54278326
2-[[4,8-dihydroxy-9,10-dioxo-5-(2-prop-2-enoyloxyethylamino)anthracen-1-yl]amino]ethyl prop-2-enoate
CID 54442571
[5-(acetyloxymethoxy)-4,8-bis[2-(dimethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]oxymethyl acetate
CID 66558433
4-[2-(dimethylamino)ethylamino]-7-[2-(dimethylamino)ethyl-[2-(methylamino)ethyl]amino]-12,15-dihydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2,9-dione
CID 143201540
2-amino-N-[2-[[4-[2-[(2-aminoacetyl)-(2-hydroxyethyl)amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl]-N-(2-hydroxyethyl)acetamide
CID 14128465
4-[[2-[[4-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethylazaniumyl]methyl]-N-hydroxybenzeneamine oxide;hydrochloride
CID 21143616
1,4-bis[2-(dimethylamino)propylamino]-5,8-dihydroxyanthracene-9,10-dione
CID 122197323

Frequently Asked Questions

What is the IUPAC name of [1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium?
The IUPAC name of [1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium (CID 140664445) is [1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium.
What is the SMILES notation for [1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium?
The canonical SMILES for [1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium is CN(C)CCNc1ccc(O)c2c1C(=O)c1c(O)ccc(NCCOCCOCCOCC/[NH+]=C(\N)CCCC/C(N)=[NH+]\CCOCCOCCOCCNc3ccc(O)c4c3C(=O)c3c(O)ccc(NCCN(C)C)c3C4=O)c1C2=O.
What is the InChIKey of [1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium?
The InChIKey is VXYAGZBMYSQLKO-UHFFFAOYSA-P. The full InChI is InChI=1S/C58H80N10O14/c1-67(2)23-17-61-37-9-13-41(69)51-47(37)55(73)53-43(71)15-11-39(49(53)57(51)75)63-19-25-77-29-33-81-35-31-79-27-21-65-45(59)7-5-6-8-46(60)66-22-28-80-32-36-82-34-30-78-26-20-64-40-12-16-44(72)54-50(40)58(76)52-42(70)14-10-38(48(52)56(54)74)62-18-24-68(3)4/h9-16,61-64,69-72H,5-8,17-36H2,1-4H3,(H2,59,65)(H2,60,66)/p+2.
What are the key properties of [1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium?
[1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium has a molecular weight of 1143.35 g/mol, XLogP of 0.07, 39 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [1,6-diamino-6-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethylazaniumylidene]hexylidene]-[2-[2-[2-[2-[[5-[2-(dimethylamino)ethylamino]-4,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]azanium is sourced from PubChem (CID 140664445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).