2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan

C18H9N3O7 — CID 6510728

IUPAC2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccco1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2
InChIInChI=1S/C18H9N3O7/c22-19(23)10-3-4-13-14(6-10)15(9-12-2-1-5-28-12)16-7-11(20(24)25)8-17(18(13)16)21(26)27/h1-9H/b15-9+
InChIKeyHKIYNAFPKNXQMY-OQLLNIDSSA-N
MW379.28 g/mol
LogP4.57
Rot. Bonds4

About 2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan

2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan (PubChem CID 6510728) has the molecular formula C18H9N3O7 and a molecular weight of 379.28 g/mol. Its IUPAC name is 2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan.

Molecular Properties

Compound Name2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan
PubChem CID6510728
Molecular FormulaC18H9N3O7
Molecular Weight379.28 g/mol
Exact Mass379.04
IUPAC Name2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccco1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2
InChIInChI=1S/C18H9N3O7/c22-19(23)10-3-4-13-14(6-10)15(9-12-2-1-5-28-12)16-7-11(20(24)25)8-17(18(13)16)21(26)27/h1-9H/b15-9+
InChIKeyHKIYNAFPKNXQMY-OQLLNIDSSA-N
XLogP4.57
TPSA142.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 54.57
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

(9E)-9-[(4-chlorophenyl)methylidene]-2,4,7-trinitrofluorene
CID 5285985
9-[(4-bromophenyl)methylidene]-2,4,5,7-tetranitrofluorene
CID 2775540
1,3,7-trinitrofluoren-9-one
CID 3117442
2-(furan-2-yl)-5-nitrobenzenethiol
CID 168527831
(4Z)-2-(2-chloro-4-nitrophenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6520150
1,5-bis(2,4,6-trinitrophenyl)naphthalene
CID 102507077
5,7-dinitro-9-oxofluorene-2-carbonitrile
CID 71329076
N-[[(1E,3Z,6E,8E)-1,9-bis(furan-2-yl)nona-1,3,6,8-tetraen-5-ylidene]amino]-2,4-dinitroaniline
CID 171979974
9-[(4-methoxyphenyl)methylidene]-2,4,5,7-tetranitrofluorene
CID 2775527
(5E)-3-(2,4-dinitroanilino)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122712759
N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2,4-dinitroaniline
CID 129439911
N-(2-ethylphenyl)-2,4,7-trinitrofluoren-9-imine
CID 10047609

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan?
The IUPAC name of 2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan (CID 6510728) is 2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan.
What is the SMILES notation for 2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan?
The canonical SMILES for 2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan is O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccco1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2.
What is the InChIKey of 2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan?
The InChIKey is HKIYNAFPKNXQMY-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H9N3O7/c22-19(23)10-3-4-13-14(6-10)15(9-12-2-1-5-28-12)16-7-11(20(24)25)8-17(18(13)16)21(26)27/h1-9H/b15-9+.
What are the key properties of 2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan?
2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan has a molecular weight of 379.28 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan is sourced from PubChem (CID 6510728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).