11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione

C19H14N2O5 — CID 102346753

IUPAC11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione
SMILESCOc1ccc(OC)c2c(=O)c3c(=[N+]=[N-])c4c(c=3c(=O)c12)C(=O)CCC4
InChIInChI=1S/C19H14N2O5/c1-25-10-6-7-11(26-2)14-13(10)18(23)15-12-8(4-3-5-9(12)22)17(21-20)16(15)19(14)24/h6-7H,3-5H2,1-2H3
InChIKeyQAVNITXVUAKNMF-UHFFFAOYSA-N
MW350.33 g/mol
LogP0.83
Rot. Bonds2

About 11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione

11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione (PubChem CID 102346753) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione.

Molecular Properties

Compound Name11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione
PubChem CID102346753
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione
SMILESCOc1ccc(OC)c2c(=O)c3c(=[N+]=[N-])c4c(c=3c(=O)c12)C(=O)CCC4
InChIInChI=1S/C19H14N2O5/c1-25-10-6-7-11(26-2)14-13(10)18(23)15-12-8(4-3-5-9(12)22)17(21-20)16(15)19(14)24/h6-7H,3-5H2,1-2H3
InChIKeyQAVNITXVUAKNMF-UHFFFAOYSA-N
XLogP0.83
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione?
The IUPAC name of 11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione (CID 102346753) is 11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione.
What is the SMILES notation for 11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione?
The canonical SMILES for 11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione is COc1ccc(OC)c2c(=O)c3c(=[N+]=[N-])c4c(c=3c(=O)c12)C(=O)CCC4.
What is the InChIKey of 11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione?
The InChIKey is QAVNITXVUAKNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-25-10-6-7-11(26-2)14-13(10)18(23)15-12-8(4-3-5-9(12)22)17(21-20)16(15)19(14)24/h6-7H,3-5H2,1-2H3.
What are the key properties of 11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione?
11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione has a molecular weight of 350.33 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione is sourced from PubChem (CID 102346753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).