9,10-dinitrosoanthracene

C14H8N2O2 — CID 88553445

IUPAC9,10-dinitrosoanthracene
SMILESO=Nc1c2ccccc2c(N=O)c2ccccc12
InChIInChI=1S/C14H8N2O2/c17-15-13-9-5-1-2-6-10(9)14(16-18)12-8-4-3-7-11(12)13/h1-8H
InChIKeyYVFSPODNYMHVBZ-UHFFFAOYSA-N
MW236.23 g/mol
LogP4.79
Rot. Bonds2

About 9,10-dinitrosoanthracene

9,10-dinitrosoanthracene (PubChem CID 88553445) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 9,10-dinitrosoanthracene.

Molecular Properties

Compound Name9,10-dinitrosoanthracene
PubChem CID88553445
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Name9,10-dinitrosoanthracene
SMILESO=Nc1c2ccccc2c(N=O)c2ccccc12
InChIInChI=1S/C14H8N2O2/c17-15-13-9-5-1-2-6-10(9)14(16-18)12-8-4-3-7-11(12)13/h1-8H
InChIKeyYVFSPODNYMHVBZ-UHFFFAOYSA-N
XLogP4.79
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,10-dinitrosoanthracene?
The IUPAC name of 9,10-dinitrosoanthracene (CID 88553445) is 9,10-dinitrosoanthracene.
What is the SMILES notation for 9,10-dinitrosoanthracene?
The canonical SMILES for 9,10-dinitrosoanthracene is O=Nc1c2ccccc2c(N=O)c2ccccc12.
What is the InChIKey of 9,10-dinitrosoanthracene?
The InChIKey is YVFSPODNYMHVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c17-15-13-9-5-1-2-6-10(9)14(16-18)12-8-4-3-7-11(12)13/h1-8H.
What are the key properties of 9,10-dinitrosoanthracene?
9,10-dinitrosoanthracene has a molecular weight of 236.23 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dinitrosoanthracene is sourced from PubChem (CID 88553445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).