9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene

C22H17NO4 — CID 101464411

IUPAC9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene
SMILESCOc1cc(C=C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C22H17NO4/c1-26-21-12-14(20(23(24)25)13-22(21)27-2)11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-13H,1-2H3
InChIKeyWMLIULSQAXCIES-UHFFFAOYSA-N
MW359.38 g/mol
LogP5.18
Rot. Bonds4

About 9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene

9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene (PubChem CID 101464411) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene.

Molecular Properties

Compound Name9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene
PubChem CID101464411
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene
SMILESCOc1cc(C=C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C22H17NO4/c1-26-21-12-14(20(23(24)25)13-22(21)27-2)11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-13H,1-2H3
InChIKeyWMLIULSQAXCIES-UHFFFAOYSA-N
XLogP5.18
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[[4-(fluoren-9-ylidenemethyl)-2,5-dimethoxyphenyl]methylidene]fluorene
CID 90396431
2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 4815870
1,2-dimethoxy-4-nitro-5-[(E)-2-phenylethenyl]benzene
CID 101203170
(3Z)-3-[(4,5-dimethoxy-2-nitrophenyl)methylidene]chromen-4-one
CID 6214659
4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 1069875
5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1348609
(4Z)-1-(4-bromophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]pyrazolidine-3,5-dione
CID 2248252
3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enal
CID 54315550
(4E)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one
CID 5291123
1-ethenyl-2,5-dimethoxy-4-nitrobenzene
CID 54152856
(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 2263721
4-diphenylphosphoryloxy-5-methoxy-2-nitrobenzaldehyde
CID 164853783

Frequently Asked Questions

What is the IUPAC name of 9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene?
The IUPAC name of 9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene (CID 101464411) is 9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene.
What is the SMILES notation for 9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene?
The canonical SMILES for 9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene is COc1cc(C=C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene?
The InChIKey is WMLIULSQAXCIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-26-21-12-14(20(23(24)25)13-22(21)27-2)11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-13H,1-2H3.
What are the key properties of 9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene?
9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene has a molecular weight of 359.38 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene is sourced from PubChem (CID 101464411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).