1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione

C28H22N2O6 — CID 154095434

IUPAC1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(NCc3cc(O)ccc3O)ccc(NCc3cc(O)ccc3O)c21
InChIInChI=1S/C28H22N2O6/c31-17-5-9-23(33)15(11-17)13-29-21-7-8-22(30-14-16-12-18(32)6-10-24(16)34)26-25(21)27(35)19-3-1-2-4-20(19)28(26)36/h1-12,29-34H,13-14H2
InChIKeyFASLVZNYESDWCY-UHFFFAOYSA-N
MW482.49 g/mol
LogP4.51
Rot. Bonds6

About 1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione

1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione (PubChem CID 154095434) has the molecular formula C28H22N2O6 and a molecular weight of 482.49 g/mol. Its IUPAC name is 1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione.

Molecular Properties

Compound Name1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione
PubChem CID154095434
Molecular FormulaC28H22N2O6
Molecular Weight482.49 g/mol
Exact Mass482.15
IUPAC Name1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(NCc3cc(O)ccc3O)ccc(NCc3cc(O)ccc3O)c21
InChIInChI=1S/C28H22N2O6/c31-17-5-9-23(33)15(11-17)13-29-21-7-8-22(30-14-16-12-18(32)6-10-24(16)34)26-25(21)27(35)19-3-1-2-4-20(19)28(26)36/h1-12,29-34H,13-14H2
InChIKeyFASLVZNYESDWCY-UHFFFAOYSA-N
XLogP4.51
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.49
LogP ≤ 54.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 1,4-bis[(2,5-dihydroxyphenyl)methylamino]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

Related Compounds

2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 154128556
1-(2,2-difluoropropylamino)-4-hydroxyanthracene-9,10-dione
CID 154257924
2-[[4-(carboxymethylamino)-9,10-dioxoanthracen-1-yl]amino]acetic acid
CID 135183133
4-[(2-hydroxyanilino)methyl]benzene-1,3-diol
CID 21321428
4-[(4-bromo-2-hydroxyphenyl)methylamino]isoindole-1,3-dione
CID 146627762
1-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione
CID 135183207
1-(2,2-diethoxyethylamino)-4-hydroxyanthracene-9,10-dione
CID 10247608
1,4-dianilino-6-hydroxyanthracene-9,10-dione
CID 86048148
1-(benzylamino)-4-phenylmethoxyanthracene-9,10-dione
CID 78210307
2-chloro-4-[(2,5-dihydroxyphenyl)methylamino]-3-propan-2-ylbenzoic acid
CID 66692967
N-[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]ethyl]butanamide
CID 71188680
4-[(2-methylsulfonylanilino)methyl]benzene-1,3-diol
CID 43724642

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione?
The IUPAC name of 1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione (CID 154095434) is 1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione.
What is the SMILES notation for 1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione?
The canonical SMILES for 1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c(NCc3cc(O)ccc3O)ccc(NCc3cc(O)ccc3O)c21.
What is the InChIKey of 1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione?
The InChIKey is FASLVZNYESDWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O6/c31-17-5-9-23(33)15(11-17)13-29-21-7-8-22(30-14-16-12-18(32)6-10-24(16)34)26-25(21)27(35)19-3-1-2-4-20(19)28(26)36/h1-12,29-34H,13-14H2.
What are the key properties of 1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione?
1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione has a molecular weight of 482.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2,5-dihydroxyphenyl)methylamino]anthracene-9,10-dione is sourced from PubChem (CID 154095434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).