copper;2,4,7-trinitro-9H-fluorene

C13H7CuN3O6 — CID 174761143

IUPACcopper;2,4,7-trinitro-9H-fluorene
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2.[Cu]
InChIInChI=1S/C13H7N3O6.Cu/c17-14(18)9-1-2-11-7(4-9)3-8-5-10(15(19)20)6-12(13(8)11)16(21)22;/h1-2,4-6H,3H2;
InChIKeyRXNZUSJBDRDYDF-UHFFFAOYSA-N
MW364.76 g/mol
LogP2.98
Rot. Bonds3

About copper;2,4,7-trinitro-9H-fluorene

copper;2,4,7-trinitro-9H-fluorene (PubChem CID 174761143) has the molecular formula C13H7CuN3O6 and a molecular weight of 364.76 g/mol. Its IUPAC name is copper;2,4,7-trinitro-9H-fluorene.

Molecular Properties

Compound Namecopper;2,4,7-trinitro-9H-fluorene
PubChem CID174761143
Molecular FormulaC13H7CuN3O6
Molecular Weight364.76 g/mol
Exact Mass363.96
IUPAC Namecopper;2,4,7-trinitro-9H-fluorene
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2.[Cu]
InChIInChI=1S/C13H7N3O6.Cu/c17-14(18)9-1-2-11-7(4-9)3-8-5-10(15(19)20)6-12(13(8)11)16(21)22;/h1-2,4-6H,3H2;
InChIKeyRXNZUSJBDRDYDF-UHFFFAOYSA-N
XLogP2.98
TPSA129.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2,6-dinitro-9H-fluorene
CID 3582885
1,3,7-trinitrofluoren-9-one
CID 3117442
7-nitro-9H-fluorene-4-diazonium
CID 5033452
1,3,7-trinitrodibenzothiophene 5-oxide
CID 139879502
N,N-dimethyl-7-nitro-9H-fluoren-2-amine
CID 3762473
3-bromo-7-nitro-9H-fluoren-2-amine
CID 125496214
sodium;4-(2,4-dinitrophenyl)phenol;hydride
CID 174918783
1,5-bis(2,4,6-trinitrophenyl)naphthalene
CID 102507077
3,6-dinitro-9H-xanthene
CID 23462424
(7-nitro-9H-fluoren-2-yl) hydrogen sulfate
CID 54049800
3,7-dinitro-9,10-dihydrophenanthren-2-amine
CID 625211
2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione
CID 3874335

Frequently Asked Questions

What is the IUPAC name of copper;2,4,7-trinitro-9H-fluorene?
The IUPAC name of copper;2,4,7-trinitro-9H-fluorene (CID 174761143) is copper;2,4,7-trinitro-9H-fluorene.
What is the SMILES notation for copper;2,4,7-trinitro-9H-fluorene?
The canonical SMILES for copper;2,4,7-trinitro-9H-fluorene is O=[N+]([O-])c1ccc2c(c1)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2.[Cu].
What is the InChIKey of copper;2,4,7-trinitro-9H-fluorene?
The InChIKey is RXNZUSJBDRDYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O6.Cu/c17-14(18)9-1-2-11-7(4-9)3-8-5-10(15(19)20)6-12(13(8)11)16(21)22;/h1-2,4-6H,3H2;.
What are the key properties of copper;2,4,7-trinitro-9H-fluorene?
copper;2,4,7-trinitro-9H-fluorene has a molecular weight of 364.76 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,4,7-trinitro-9H-fluorene is sourced from PubChem (CID 174761143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).