2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide

C20H10N4O8 — CID 2775590

IUPAC2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O
InChIInChI=1S/C20H10N4O8/c25-19-13-6-11(22(27)28)8-15(20(26)21-10-4-2-1-3-5-10)17(13)18-14(19)7-12(23(29)30)9-16(18)24(31)32/h1-9H,(H,21,26)
InChIKeyMCYSNSDAEXVLRT-UHFFFAOYSA-N
MW434.32 g/mol
LogP3.87
Rot. Bonds5

About 2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide

2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide (PubChem CID 2775590) has the molecular formula C20H10N4O8 and a molecular weight of 434.32 g/mol. Its IUPAC name is 2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide.

Molecular Properties

Compound Name2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide
PubChem CID2775590
Molecular FormulaC20H10N4O8
Molecular Weight434.32 g/mol
Exact Mass434.05
IUPAC Name2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O
InChIInChI=1S/C20H10N4O8/c25-19-13-6-11(22(27)28)8-15(20(26)21-10-4-2-1-3-5-10)17(13)18-14(19)7-12(23(29)30)9-16(18)24(31)32/h1-9H,(H,21,26)
InChIKeyMCYSNSDAEXVLRT-UHFFFAOYSA-N
XLogP3.87
TPSA175.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
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

2,5,7-trinitro-N-octadecyl-9-oxofluorene-4-carboxamide
CID 2775513
4-chloro-2-nitro-6-(phenylcarbamoyl)phenolate
CID 7038591
3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide
CID 57352159
N,N-diethyl-2,5,7-trinitro-9-oxofluorene-4-carboxamide
CID 2775574
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
2-amino-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870
(9Z)-9-hydroxyimino-2,5,7-trinitro-N-(1-phenylethyl)fluorene-4-carboxamide
CID 6051228
(4,5,7-trinitro-9-oxofluoren-2-yl) hydrogen carbonate
CID 88625118
2,4-dinitro-6-phenoxy-N-phenylbenzamide
CID 10714726
(4-formylphenyl) 2,5,7-trinitro-9-oxofluorene-4-carboxylate
CID 101368303
4-(morpholine-4-carbonyl)-2,5,7-trinitrofluoren-9-one
CID 2775587

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide?
The IUPAC name of 2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide (CID 2775590) is 2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide.
What is the SMILES notation for 2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide?
The canonical SMILES for 2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide is O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O.
What is the InChIKey of 2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide?
The InChIKey is MCYSNSDAEXVLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N4O8/c25-19-13-6-11(22(27)28)8-15(20(26)21-10-4-2-1-3-5-10)17(13)18-14(19)7-12(23(29)30)9-16(18)24(31)32/h1-9H,(H,21,26).
What are the key properties of 2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide?
2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide has a molecular weight of 434.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide is sourced from PubChem (CID 2775590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).