bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)

C60H54N2O10 — CID 139194609

IUPACbis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)
SMILESO=C(C(=O)N1CCOCC1)c1ccccc1.O=C(C(=O)N1CCOCC1)c1ccccc1.Oc1cc(-c2ccccc2)c(O)cc1-c1ccccc1.Oc1cc(-c2ccccc2)c(O)cc1-c1ccccc1
InChIInChI=1S/2C18H14O2.2C12H13NO3/c2*19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13;2*14-11(10-4-2-1-3-5-10)12(15)13-6-8-16-9-7-13/h2*1-12,19-20H;2*1-5H,6-9H2
InChIKeyCZRMYCVVNZPRPO-UHFFFAOYSA-N
MW963.10 g/mol
LogP10.32
Rot. Bonds8

About bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)

bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione) (PubChem CID 139194609) has the molecular formula C60H54N2O10 and a molecular weight of 963.10 g/mol. Its IUPAC name is bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione).

Molecular Properties

Compound Namebis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)
PubChem CID139194609
Molecular FormulaC60H54N2O10
Molecular Weight963.10 g/mol
Exact Mass962.38
IUPAC Namebis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)
SMILESO=C(C(=O)N1CCOCC1)c1ccccc1.O=C(C(=O)N1CCOCC1)c1ccccc1.Oc1cc(-c2ccccc2)c(O)cc1-c1ccccc1.Oc1cc(-c2ccccc2)c(O)cc1-c1ccccc1
InChIInChI=1S/2C18H14O2.2C12H13NO3/c2*19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13;2*14-11(10-4-2-1-3-5-10)12(15)13-6-8-16-9-7-13/h2*1-12,19-20H;2*1-5H,6-9H2
InChIKeyCZRMYCVVNZPRPO-UHFFFAOYSA-N
XLogP10.32
TPSA174.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.10
LogP ≤ 510.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-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

1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82116829
2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone
CID 130430007
(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198
2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756
5-(morpholine-4-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 134211396
(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione
CID 11380289
(2Z,3Z)-2,3-bis(hydroxyimino)-3-morpholin-4-yl-1-phenylpropan-1-one
CID 137153092
1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
CID 5296340
(E)-5-chloro-2-fluoro-1-morpholin-4-yl-3-phenylpent-2-en-1-one
CID 71739167
3-benzoyl-2-morpholin-4-yl-1-naphthalen-2-yl-4-phenylbut-2-ene-1,4-dione
CID 71723118
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345

Frequently Asked Questions

What is the IUPAC name of bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)?
The IUPAC name of bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione) (CID 139194609) is bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione).
What is the SMILES notation for bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)?
The canonical SMILES for bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione) is O=C(C(=O)N1CCOCC1)c1ccccc1.O=C(C(=O)N1CCOCC1)c1ccccc1.Oc1cc(-c2ccccc2)c(O)cc1-c1ccccc1.Oc1cc(-c2ccccc2)c(O)cc1-c1ccccc1.
What is the InChIKey of bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)?
The InChIKey is CZRMYCVVNZPRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14O2.2C12H13NO3/c2*19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13;2*14-11(10-4-2-1-3-5-10)12(15)13-6-8-16-9-7-13/h2*1-12,19-20H;2*1-5H,6-9H2.
What are the key properties of bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)?
bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione) has a molecular weight of 963.10 g/mol, XLogP of 10.32, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione) is sourced from PubChem (CID 139194609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).