1,3,7-trinitrofluoren-9-one

C13H5N3O7 — CID 3117442

IUPAC1,3,7-trinitrofluoren-9-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21
InChIInChI=1S/C13H5N3O7/c17-13-10-3-6(14(18)19)1-2-8(10)9-4-7(15(20)21)5-11(12(9)13)16(22)23/h1-5H
InChIKeyXREBAXXUFXUZAY-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.62
Rot. Bonds3

About 1,3,7-trinitrofluoren-9-one

1,3,7-trinitrofluoren-9-one (PubChem CID 3117442) has the molecular formula C13H5N3O7 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1,3,7-trinitrofluoren-9-one.

Molecular Properties

Compound Name1,3,7-trinitrofluoren-9-one
PubChem CID3117442
Molecular FormulaC13H5N3O7
Molecular Weight315.20 g/mol
Exact Mass315.01
IUPAC Name1,3,7-trinitrofluoren-9-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21
InChIInChI=1S/C13H5N3O7/c17-13-10-3-6(14(18)19)1-2-8(10)9-4-7(15(20)21)5-11(12(9)13)16(22)23/h1-5H
InChIKeyXREBAXXUFXUZAY-UHFFFAOYSA-N
XLogP2.62
TPSA146.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

5,7-dinitro-9-oxofluorene-2-carbonitrile
CID 71329076
1,3,7-trinitrodibenzothiophene 5-oxide
CID 139879502
1-amino-4,6-dinitro-9,10-dioxoanthracene-2-sulfonic acid;hydrochloride
CID 88774409
2,3-dichloro-6-nitronaphthalene-1,4-dione
CID 12883018
copper;2,4,7-trinitro-9H-fluorene
CID 174761143
3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one
CID 20734342
1,5-bis(2,4,6-trinitrophenyl)naphthalene
CID 102507077
5-hydroxy-2-nitrofluoren-9-one
CID 5324263
1,4-diamino-2-bromo-6-nitroanthracene-9,10-dione
CID 23455965
(9E)-9-[(4-chlorophenyl)methylidene]-2,4,7-trinitrofluorene
CID 5285985
6-nitro-9,10-dioxoanthracene-1-sulfonic acid
CID 21410236
2,4,7-trinitro-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]fluoren-9-imine
CID 22899739

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trinitrofluoren-9-one?
The IUPAC name of 1,3,7-trinitrofluoren-9-one (CID 3117442) is 1,3,7-trinitrofluoren-9-one.
What is the SMILES notation for 1,3,7-trinitrofluoren-9-one?
The canonical SMILES for 1,3,7-trinitrofluoren-9-one is O=C1c2cc([N+](=O)[O-])ccc2-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21.
What is the InChIKey of 1,3,7-trinitrofluoren-9-one?
The InChIKey is XREBAXXUFXUZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5N3O7/c17-13-10-3-6(14(18)19)1-2-8(10)9-4-7(15(20)21)5-11(12(9)13)16(22)23/h1-5H.
What are the key properties of 1,3,7-trinitrofluoren-9-one?
1,3,7-trinitrofluoren-9-one has a molecular weight of 315.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trinitrofluoren-9-one is sourced from PubChem (CID 3117442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).