benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide)

C30H18N8O6S2 — CID 139140035

IUPACbenzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide)
SMILESO=S1(=O)N=c2c(c3cccnc3c3ncccc23)=N1.O=S1(=O)N=c2c(c3cccnc3c3ncccc23)=N1.Oc1ccc(O)cc1
InChIInChI=1S/2C12H6N4O2S.C6H6O2/c2*17-19(18)15-11-7-3-1-5-13-9(7)10-8(12(11)16-19)4-2-6-14-10;7-5-1-2-6(8)4-3-5/h2*1-6H;1-4,7-8H
InChIKeyOJQOBJBYQVBUJR-UHFFFAOYSA-N
MW650.66 g/mol
LogP1.66
Rot. Bonds

About benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide)

benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide) (PubChem CID 139140035) has the molecular formula C30H18N8O6S2 and a molecular weight of 650.66 g/mol. Its IUPAC name is benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide).

Molecular Properties

Compound Namebenzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide)
PubChem CID139140035
Molecular FormulaC30H18N8O6S2
Molecular Weight650.66 g/mol
Exact Mass650.08
IUPAC Namebenzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide)
SMILESO=S1(=O)N=c2c(c3cccnc3c3ncccc23)=N1.O=S1(=O)N=c2c(c3cccnc3c3ncccc23)=N1.Oc1ccc(O)cc1
InChIInChI=1S/2C12H6N4O2S.C6H6O2/c2*17-19(18)15-11-7-3-1-5-13-9(7)10-8(12(11)16-19)4-2-6-14-10;7-5-1-2-6(8)4-3-5/h2*1-6H;1-4,7-8H
InChIKeyOJQOBJBYQVBUJR-UHFFFAOYSA-N
XLogP1.66
TPSA209.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.66
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide) 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

4-(2,5,21-Triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-13-yl)phenol
CID 137278025
5,6-Dihydro-1,10-phenanthroline;iridium;phenol;2-(3-phenylbenzene-2-id-1-yl)pyridine
CID 58616243
phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine
CID 158719979
Iridium;2-(4-pyridin-2-ylbenzene-5-id-1-yl)pyridine;2-pyridin-2-ylphenol
CID 177296486
2-(2H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol
CID 102496544
4-[2-[4-(4-Hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide)?
The IUPAC name of benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide) (CID 139140035) is benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide).
What is the SMILES notation for benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide)?
The canonical SMILES for benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide) is O=S1(=O)N=c2c(c3cccnc3c3ncccc23)=N1.O=S1(=O)N=c2c(c3cccnc3c3ncccc23)=N1.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide)?
The InChIKey is OJQOBJBYQVBUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H6N4O2S.C6H6O2/c2*17-19(18)15-11-7-3-1-5-13-9(7)10-8(12(11)16-19)4-2-6-14-10;7-5-1-2-6(8)4-3-5/h2*1-6H;1-4,7-8H.
What are the key properties of benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide)?
benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide) has a molecular weight of 650.66 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;bis([1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide) is sourced from PubChem (CID 139140035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).