(5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium

C14H6N5O6+ — CID 6332668

IUPAC(5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium
SMILESN=[N+]=NC(=O)c1cccc2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2
InChIInChI=1S/C14H6N5O6/c15-17-16-14(21)8-3-1-2-7-11-9(13(20)12(7)8)4-6(18(22)23)5-10(11)19(24)25/h1-5,15H/q+1
InChIKeyFGFGFYLMPMQMQT-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.40
Rot. Bonds3

About (5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium

(5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium (PubChem CID 6332668) has the molecular formula C14H6N5O6+ and a molecular weight of 340.23 g/mol. Its IUPAC name is (5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium.

Molecular Properties

Compound Name(5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium
PubChem CID6332668
Molecular FormulaC14H6N5O6+
Molecular Weight340.23 g/mol
Exact Mass340.03
IUPAC Name(5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium
SMILESN=[N+]=NC(=O)c1cccc2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2
InChIInChI=1S/C14H6N5O6/c15-17-16-14(21)8-3-1-2-7-11-9(13(20)12(7)8)4-6(18(22)23)5-10(11)19(24)25/h1-5,15H/q+1
InChIKeyFGFGFYLMPMQMQT-UHFFFAOYSA-N
XLogP2.40
TPSA170.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,3,7-trinitrofluoren-9-one
CID 3117442
1,5-bis(2,4,6-trinitrophenyl)naphthalene
CID 102507077
1-chloro-4,5,7-trinitro-9-oxofluorene-2-carboxylic acid
CID 57209242
2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide
CID 2775590
3-(3,5-dinitro-2-sulfophenyl)-2-sulfobenzoic acid
CID 130310552
2,4,5,7-tetranitrofluoren-9-one;2-[(2,4,5,7-tetranitrofluoren-9-ylidene)amino]oxypropanoic acid
CID 158805147
(4,5,7-trinitro-9-oxofluoren-2-yl) hydrogen carbonate
CID 88625118
3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one
CID 20734342
(4-formylphenyl) 2,5,7-trinitro-9-oxofluorene-4-carboxylate
CID 101368303
N,N-diethyl-2,5,7-trinitro-9-oxofluorene-4-carboxamide
CID 2775574
1-methyl-3-nitroanthracene-9,10-dione
CID 86256957
5,7-dinitro-9-oxofluorene-2-carbonitrile
CID 71329076

Frequently Asked Questions

What is the IUPAC name of (5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium?
The IUPAC name of (5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium (CID 6332668) is (5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium.
What is the SMILES notation for (5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium?
The canonical SMILES for (5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium is N=[N+]=NC(=O)c1cccc2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2.
What is the InChIKey of (5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium?
The InChIKey is FGFGFYLMPMQMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N5O6/c15-17-16-14(21)8-3-1-2-7-11-9(13(20)12(7)8)4-6(18(22)23)5-10(11)19(24)25/h1-5,15H/q+1.
What are the key properties of (5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium?
(5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium has a molecular weight of 340.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium is sourced from PubChem (CID 6332668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).