9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron

C24H16FeN2O4-6 — CID 11985031

IUPAC9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron
SMILESO=[N+]([O-])c1ccc2c(c1)C(=C[c-]1cccc1)c1cc([N+](=O)[O-])ccc1-2.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H11N2O4.C5H5.Fe/c22-20(23)13-5-7-15-16-8-6-14(21(24)25)11-19(16)17(18(15)10-13)9-12-3-1-2-4-12;1-2-4-5-3-1;/h1-11H;1-5H;/q-1;-5;
InChIKeyYUWFIVCZTCDKHQ-UHFFFAOYSA-N
MW452.25 g/mol
LogP6.19
Rot. Bonds3

About 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron

9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron (PubChem CID 11985031) has the molecular formula C24H16FeN2O4-6 and a molecular weight of 452.25 g/mol. Its IUPAC name is 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron.

Molecular Properties

Compound Name9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron
PubChem CID11985031
Molecular FormulaC24H16FeN2O4-6
Molecular Weight452.25 g/mol
Exact Mass452.05
IUPAC Name9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron
SMILESO=[N+]([O-])c1ccc2c(c1)C(=C[c-]1cccc1)c1cc([N+](=O)[O-])ccc1-2.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H11N2O4.C5H5.Fe/c22-20(23)13-5-7-15-16-8-6-14(21(24)25)11-19(16)17(18(15)10-13)9-12-3-1-2-4-12;1-2-4-5-3-1;/h1-11H;1-5H;/q-1;-5;
InChIKeyYUWFIVCZTCDKHQ-UHFFFAOYSA-N
XLogP6.19
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.25
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,4,5,7-tetranitrofluorene;cyclopentane;iron
CID 11985029
2,6-dinitro-9H-fluorene
CID 3582885
(9E)-2-nitro-9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene
CID 102122057
(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine
CID 5354534
5-nitro-2-phenylindene-1,3-dione
CID 12776975
3-nitro-9,10-dihydrophenanthrene
CID 614448
N,N-diethyl-4-[(2-nitrofluoren-9-ylidene)methyl]aniline
CID 54431747
2-(2-formylphenyl)-5-nitrobenzaldehyde
CID 102487108
2,3-dichloro-6-nitronaphthalene-1,4-dione
CID 12883018
2,7-dinitro-9-[(4-propoxyphenyl)methylidene]fluorene
CID 4650397
4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene
CID 57053685
5-nitro-2-[2-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 19370940

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron?
The IUPAC name of 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron (CID 11985031) is 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron.
What is the SMILES notation for 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron?
The canonical SMILES for 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron is O=[N+]([O-])c1ccc2c(c1)C(=C[c-]1cccc1)c1cc([N+](=O)[O-])ccc1-2.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron?
The InChIKey is YUWFIVCZTCDKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N2O4.C5H5.Fe/c22-20(23)13-5-7-15-16-8-6-14(21(24)25)11-19(16)17(18(15)10-13)9-12-3-1-2-4-12;1-2-4-5-3-1;/h1-11H;1-5H;/q-1;-5;.
What are the key properties of 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron?
9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron has a molecular weight of 452.25 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,7-dinitrofluorene;cyclopentane;iron is sourced from PubChem (CID 11985031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).