9-methyl-2,4,5,7-tetranitro-9H-fluorene

C14H8N4O8 — CID 88919207

IUPAC9-methyl-2,4,5,7-tetranitro-9H-fluorene
SMILESCC1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]
InChIInChI=1S/C14H8N4O8/c1-6-9-2-7(15(19)20)4-11(17(23)24)13(9)14-10(6)3-8(16(21)22)5-12(14)18(25)26/h2-6H,1H3
InChIKeyDGIPOMOQQNYZOG-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.45
Rot. Bonds4

About 9-methyl-2,4,5,7-tetranitro-9H-fluorene

9-methyl-2,4,5,7-tetranitro-9H-fluorene (PubChem CID 88919207) has the molecular formula C14H8N4O8 and a molecular weight of 360.24 g/mol. Its IUPAC name is 9-methyl-2,4,5,7-tetranitro-9H-fluorene.

Molecular Properties

Compound Name9-methyl-2,4,5,7-tetranitro-9H-fluorene
PubChem CID88919207
Molecular FormulaC14H8N4O8
Molecular Weight360.24 g/mol
Exact Mass360.03
IUPAC Name9-methyl-2,4,5,7-tetranitro-9H-fluorene
SMILESCC1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]
InChIInChI=1S/C14H8N4O8/c1-6-9-2-7(15(19)20)4-11(17(23)24)13(9)14-10(6)3-8(16(21)22)5-12(14)18(25)26/h2-6H,1H3
InChIKeyDGIPOMOQQNYZOG-UHFFFAOYSA-N
XLogP3.45
TPSA172.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2,4,5,7-tetranitro-9H-fluoren-9-yl)amino]oxyacetate
CID 89365869
2-methyl-1,3,5-trinitrobenzene
CID 87172748
2-(4-methylphenyl)-1,3,5-trinitrobenzene
CID 22342000
2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
CID 8576
benzene;2-chloro-1,3,5-trinitrobenzene
CID 160949015
strontium bis(2,4,6-trinitrophenolate)
CID 90471623
calcium bis(2,4,6-trinitrophenolate)
CID 517024
potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
CID 173446524
1,5-bis(2,4,6-trinitrophenyl)naphthalene
CID 102507077
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
cobalt;2,4,6-trinitrophenol
CID 88826081
iron(3+);tris(2,4,6-trinitrophenolate);hydrate
CID 173341190

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,4,5,7-tetranitro-9H-fluorene?
The IUPAC name of 9-methyl-2,4,5,7-tetranitro-9H-fluorene (CID 88919207) is 9-methyl-2,4,5,7-tetranitro-9H-fluorene.
What is the SMILES notation for 9-methyl-2,4,5,7-tetranitro-9H-fluorene?
The canonical SMILES for 9-methyl-2,4,5,7-tetranitro-9H-fluorene is CC1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-].
What is the InChIKey of 9-methyl-2,4,5,7-tetranitro-9H-fluorene?
The InChIKey is DGIPOMOQQNYZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O8/c1-6-9-2-7(15(19)20)4-11(17(23)24)13(9)14-10(6)3-8(16(21)22)5-12(14)18(25)26/h2-6H,1H3.
What are the key properties of 9-methyl-2,4,5,7-tetranitro-9H-fluorene?
9-methyl-2,4,5,7-tetranitro-9H-fluorene has a molecular weight of 360.24 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,4,5,7-tetranitro-9H-fluorene is sourced from PubChem (CID 88919207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).