11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione

C19H14N2O5 — CID 136798584

IUPAC11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione
SMILESCC1(C)CCC(=O)c2c1c(=[N+]=[N-])c1c(O)c3c(=O)ccc(=O)c3c(O)c21
InChIInChI=1S/C19H14N2O5/c1-19(2)6-5-9(24)10-13-14(16(21-20)15(10)19)18(26)12-8(23)4-3-7(22)11(12)17(13)25/h3-4,25-26H,5-6H2,1-2H3
InChIKeyIJUNENKVXCACEH-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.38
Rot. Bonds

About 11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione

11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione (PubChem CID 136798584) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione.

Molecular Properties

Compound Name11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione
PubChem CID136798584
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione
SMILESCC1(C)CCC(=O)c2c1c(=[N+]=[N-])c1c(O)c3c(=O)ccc(=O)c3c(O)c21
InChIInChI=1S/C19H14N2O5/c1-19(2)6-5-9(24)10-13-14(16(21-20)15(10)19)18(26)12-8(23)4-3-7(22)11(12)17(13)25/h3-4,25-26H,5-6H2,1-2H3
InChIKeyIJUNENKVXCACEH-UHFFFAOYSA-N
XLogP1.38
TPSA128.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
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': 'hydroquinone', '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-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione?
The IUPAC name of 11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione (CID 136798584) is 11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione.
What is the SMILES notation for 11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione?
The canonical SMILES for 11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione is CC1(C)CCC(=O)c2c1c(=[N+]=[N-])c1c(O)c3c(=O)ccc(=O)c3c(O)c21.
What is the InChIKey of 11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione?
The InChIKey is IJUNENKVXCACEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-19(2)6-5-9(24)10-13-14(16(21-20)15(10)19)18(26)12-8(23)4-3-7(22)11(12)17(13)25/h3-4,25-26H,5-6H2,1-2H3.
What are the key properties of 11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione?
11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione has a molecular weight of 350.33 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-diazo-5,10-dihydroxy-1,1-dimethyl-2,3-dihydrobenzo[b]fluorene-4,6,9-trione is sourced from PubChem (CID 136798584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).