4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one

C23H16N4O7 — CID 57403253

IUPAC4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one
SMILESO=c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C23H16N4O7/c28-23-10-16(13-24-25-20-9-6-17(26(29)30)11-21(20)27(31)32)19-8-7-18(12-22(19)34-23)33-14-15-4-2-1-3-5-15/h1-13,25H,14H2/b24-13-
InChIKeyPPFKAJHJIXWIDX-CFRMEGHHSA-N
MW460.40 g/mol
LogP4.63
Rot. Bonds8

About 4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one

4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one (PubChem CID 57403253) has the molecular formula C23H16N4O7 and a molecular weight of 460.40 g/mol. Its IUPAC name is 4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one
PubChem CID57403253
Molecular FormulaC23H16N4O7
Molecular Weight460.40 g/mol
Exact Mass460.10
IUPAC Name4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one
SMILESO=c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C23H16N4O7/c28-23-10-16(13-24-25-20-9-6-17(26(29)30)11-21(20)27(31)32)19-8-7-18(12-22(19)34-23)33-14-15-4-2-1-3-5-15/h1-13,25H,14H2/b24-13-
InChIKeyPPFKAJHJIXWIDX-CFRMEGHHSA-N
XLogP4.63
TPSA150.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one?
The IUPAC name of 4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one (CID 57403253) is 4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one.
What is the SMILES notation for 4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one?
The canonical SMILES for 4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one is O=c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2o1.
What is the InChIKey of 4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one?
The InChIKey is PPFKAJHJIXWIDX-CFRMEGHHSA-N. The full InChI is InChI=1S/C23H16N4O7/c28-23-10-16(13-24-25-20-9-6-17(26(29)30)11-21(20)27(31)32)19-8-7-18(12-22(19)34-23)33-14-15-4-2-1-3-5-15/h1-13,25H,14H2/b24-13-.
What are the key properties of 4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one?
4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one has a molecular weight of 460.40 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one is sourced from PubChem (CID 57403253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).