4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol

C32H32N2O8 — CID 21421374

IUPAC4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol
SMILESCC(Cc1cc(O)ccc1O)Nc1ccc(O)c2c(O)c3c(NC(C)Cc4cc(O)ccc4O)ccc(O)c3c(O)c12
InChIInChI=1S/C32H32N2O8/c1-15(11-17-13-19(35)3-7-23(17)37)33-21-5-9-25(39)29-27(21)31(41)30-26(40)10-6-22(28(30)32(29)42)34-16(2)12-18-14-20(36)4-8-24(18)38/h3-10,13-16,33-42H,11-12H2,1-2H3
InChIKeyMPJAMABNNGYJGF-UHFFFAOYSA-N
MW572.61 g/mol
LogP5.72
Rot. Bonds8

About 4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol

4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol (PubChem CID 21421374) has the molecular formula C32H32N2O8 and a molecular weight of 572.61 g/mol. Its IUPAC name is 4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol.

Molecular Properties

Compound Name4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol
PubChem CID21421374
Molecular FormulaC32H32N2O8
Molecular Weight572.61 g/mol
Exact Mass572.22
IUPAC Name4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol
SMILESCC(Cc1cc(O)ccc1O)Nc1ccc(O)c2c(O)c3c(NC(C)Cc4cc(O)ccc4O)ccc(O)c3c(O)c12
InChIInChI=1S/C32H32N2O8/c1-15(11-17-13-19(35)3-7-23(17)37)33-21-5-9-25(39)29-27(21)31(41)30-26(40)10-6-22(28(30)32(29)42)34-16(2)12-18-14-20(36)4-8-24(18)38/h3-10,13-16,33-42H,11-12H2,1-2H3
InChIKeyMPJAMABNNGYJGF-UHFFFAOYSA-N
XLogP5.72
TPSA185.90 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500572.61
LogP ≤ 55.72
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol?
The IUPAC name of 4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol (CID 21421374) is 4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol.
What is the SMILES notation for 4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol?
The canonical SMILES for 4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol is CC(Cc1cc(O)ccc1O)Nc1ccc(O)c2c(O)c3c(NC(C)Cc4cc(O)ccc4O)ccc(O)c3c(O)c12.
What is the InChIKey of 4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol?
The InChIKey is MPJAMABNNGYJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O8/c1-15(11-17-13-19(35)3-7-23(17)37)33-21-5-9-25(39)29-27(21)31(41)30-26(40)10-6-22(28(30)32(29)42)34-16(2)12-18-14-20(36)4-8-24(18)38/h3-10,13-16,33-42H,11-12H2,1-2H3.
What are the key properties of 4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol?
4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol has a molecular weight of 572.61 g/mol, XLogP of 5.72, 8 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis[1-(2,5-dihydroxyphenyl)propan-2-ylamino]anthracene-1,5,9,10-tetrol is sourced from PubChem (CID 21421374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).