4,5-dinitro-9H-fluorene-2,7-diamine

C13H10N4O4 — CID 87178850

IUPAC4,5-dinitro-9H-fluorene-2,7-diamine
SMILESNc1cc2c(c([N+](=O)[O-])c1)-c1c(cc(N)cc1[N+](=O)[O-])C2
InChIInChI=1S/C13H10N4O4/c14-8-2-6-1-7-3-9(15)5-11(17(20)21)13(7)12(6)10(4-8)16(18)19/h2-5H,1,14-15H2
InChIKeyOFEGSKHQVGFDCI-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.24
Rot. Bonds2

About 4,5-dinitro-9H-fluorene-2,7-diamine

4,5-dinitro-9H-fluorene-2,7-diamine (PubChem CID 87178850) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 4,5-dinitro-9H-fluorene-2,7-diamine.

Molecular Properties

Compound Name4,5-dinitro-9H-fluorene-2,7-diamine
PubChem CID87178850
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC Name4,5-dinitro-9H-fluorene-2,7-diamine
SMILESNc1cc2c(c([N+](=O)[O-])c1)-c1c(cc(N)cc1[N+](=O)[O-])C2
InChIInChI=1S/C13H10N4O4/c14-8-2-6-1-7-3-9(15)5-11(17(20)21)13(7)12(6)10(4-8)16(18)19/h2-5H,1,14-15H2
InChIKeyOFEGSKHQVGFDCI-UHFFFAOYSA-N
XLogP2.24
TPSA138.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,5-dinitro-9H-fluorene-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3,5-dinitroaniline
CID 29574
4,5-dinitrobenzene-1,3-diamine
CID 22168448
3,4-dichloro-5-nitroaniline
CID 121228417
copper;2,4,7-trinitro-9H-fluorene
CID 174761143
4-nitro-1-benzothiophene-2,6-diamine
CID 130925410
3-amino-1,6,8-trihydroxy-10H-anthracen-9-one
CID 71427610
3-nitro-4-phenylaniline
CID 19386766
(4-amino-2-nitrophenyl) hypochlorite
CID 172687565
7-nitro-1H-indazol-5-amine
CID 74892019
1-(4-amino-2-chloro-6-nitrophenyl)ethanone
CID 131333468
sodium 5-amino-2-hydroxy-3-nitrobenzenesulfonate
CID 101305465
1,4-difluoro-2,5-dinitrobenzene
CID 14951568

Frequently Asked Questions

What is the IUPAC name of 4,5-dinitro-9H-fluorene-2,7-diamine?
The IUPAC name of 4,5-dinitro-9H-fluorene-2,7-diamine (CID 87178850) is 4,5-dinitro-9H-fluorene-2,7-diamine.
What is the SMILES notation for 4,5-dinitro-9H-fluorene-2,7-diamine?
The canonical SMILES for 4,5-dinitro-9H-fluorene-2,7-diamine is Nc1cc2c(c([N+](=O)[O-])c1)-c1c(cc(N)cc1[N+](=O)[O-])C2.
What is the InChIKey of 4,5-dinitro-9H-fluorene-2,7-diamine?
The InChIKey is OFEGSKHQVGFDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c14-8-2-6-1-7-3-9(15)5-11(17(20)21)13(7)12(6)10(4-8)16(18)19/h2-5H,1,14-15H2.
What are the key properties of 4,5-dinitro-9H-fluorene-2,7-diamine?
4,5-dinitro-9H-fluorene-2,7-diamine has a molecular weight of 286.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dinitro-9H-fluorene-2,7-diamine is sourced from PubChem (CID 87178850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).