1-methylidene-2,4,5,7-tetranitrofluorene

C14H6N4O8 — CID 172789120

IUPAC1-methylidene-2,4,5,7-tetranitrofluorene
SMILESC=c1c([N+](=O)[O-])cc([N+](=O)[O-])c2c1=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2
InChIInChI=1S/C14H6N4O8/c1-6-9-3-7-2-8(15(19)20)4-11(17(23)24)13(7)14(9)12(18(25)26)5-10(6)16(21)22/h2-5H,1H2
InChIKeyPHVOILUUOBIOPZ-UHFFFAOYSA-N
MW358.22 g/mol
LogP1.54
Rot. Bonds4

About 1-methylidene-2,4,5,7-tetranitrofluorene

1-methylidene-2,4,5,7-tetranitrofluorene (PubChem CID 172789120) has the molecular formula C14H6N4O8 and a molecular weight of 358.22 g/mol. Its IUPAC name is 1-methylidene-2,4,5,7-tetranitrofluorene.

Molecular Properties

Compound Name1-methylidene-2,4,5,7-tetranitrofluorene
PubChem CID172789120
Molecular FormulaC14H6N4O8
Molecular Weight358.22 g/mol
Exact Mass358.02
IUPAC Name1-methylidene-2,4,5,7-tetranitrofluorene
SMILESC=c1c([N+](=O)[O-])cc([N+](=O)[O-])c2c1=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2
InChIInChI=1S/C14H6N4O8/c1-6-9-3-7-2-8(15(19)20)4-11(17(23)24)13(7)14(9)12(18(25)26)5-10(6)16(21)22/h2-5H,1H2
InChIKeyPHVOILUUOBIOPZ-UHFFFAOYSA-N
XLogP1.54
TPSA172.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2,4,5,7-tetranitrofluorene?
The IUPAC name of 1-methylidene-2,4,5,7-tetranitrofluorene (CID 172789120) is 1-methylidene-2,4,5,7-tetranitrofluorene.
What is the SMILES notation for 1-methylidene-2,4,5,7-tetranitrofluorene?
The canonical SMILES for 1-methylidene-2,4,5,7-tetranitrofluorene is C=c1c([N+](=O)[O-])cc([N+](=O)[O-])c2c1=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2.
What is the InChIKey of 1-methylidene-2,4,5,7-tetranitrofluorene?
The InChIKey is PHVOILUUOBIOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N4O8/c1-6-9-3-7-2-8(15(19)20)4-11(17(23)24)13(7)14(9)12(18(25)26)5-10(6)16(21)22/h2-5H,1H2.
What are the key properties of 1-methylidene-2,4,5,7-tetranitrofluorene?
1-methylidene-2,4,5,7-tetranitrofluorene has a molecular weight of 358.22 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2,4,5,7-tetranitrofluorene is sourced from PubChem (CID 172789120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).