anthra[1,2-c]diazete-5,10-diol

C14H8N2O2 — CID 136503832

IUPACanthra[1,2-c]diazete-5,10-diol
SMILESOc1c2ccccc2c(O)c2c3c(ccc12)N=N3
InChIInChI=1S/C14H8N2O2/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10-12(11)16-15-10/h1-6,17-18H
InChIKeyDYNNMWLWXOPIBW-UHFFFAOYSA-N
MW236.23 g/mol
LogP4.13
Rot. Bonds

About anthra[1,2-c]diazete-5,10-diol

anthra[1,2-c]diazete-5,10-diol (PubChem CID 136503832) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is anthra[1,2-c]diazete-5,10-diol.

Molecular Properties

Compound Nameanthra[1,2-c]diazete-5,10-diol
PubChem CID136503832
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Nameanthra[1,2-c]diazete-5,10-diol
SMILESOc1c2ccccc2c(O)c2c3c(ccc12)N=N3
InChIInChI=1S/C14H8N2O2/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10-12(11)16-15-10/h1-6,17-18H
InChIKeyDYNNMWLWXOPIBW-UHFFFAOYSA-N
XLogP4.13
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9,10-dihydroxyanthracene-1-diazonium
CID 90949542
naphtho[1,2-c]diazete
CID 54377699
8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol
CID 137183911
anthracene-1,5,9,10-tetrol
CID 71371518
1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol
CID 123973676
pyrene-4,5,9,10-tetrol
CID 144772301
tetracyclo[6.6.2.02,7.09,14]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-15,16-diol
CID 123414874
spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol
CID 136510379
1'-methylspiro[naphtho[3,2-e]benzimidazole-2,4'-piperidine]-6,11-diol
CID 136635150
anthracene-9,10-diol;anthracene-9,10-dione
CID 88635748
anthracene-1,4,5,9,10-pentol
CID 14166820
1,4-diaminonaphthalene-2,3-diol
CID 82254150

Frequently Asked Questions

What is the IUPAC name of anthra[1,2-c]diazete-5,10-diol?
The IUPAC name of anthra[1,2-c]diazete-5,10-diol (CID 136503832) is anthra[1,2-c]diazete-5,10-diol.
What is the SMILES notation for anthra[1,2-c]diazete-5,10-diol?
The canonical SMILES for anthra[1,2-c]diazete-5,10-diol is Oc1c2ccccc2c(O)c2c3c(ccc12)N=N3.
What is the InChIKey of anthra[1,2-c]diazete-5,10-diol?
The InChIKey is DYNNMWLWXOPIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10-12(11)16-15-10/h1-6,17-18H.
What are the key properties of anthra[1,2-c]diazete-5,10-diol?
anthra[1,2-c]diazete-5,10-diol has a molecular weight of 236.23 g/mol, XLogP of 4.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthra[1,2-c]diazete-5,10-diol is sourced from PubChem (CID 136503832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).