3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine

C18H14N4O4 — CID 4665830

IUPAC3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
SMILESO=[N+]([O-])c1ccccc1C=CC=NN=CC=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H14N4O4/c23-21(24)17-11-3-1-7-15(17)9-5-13-19-20-14-6-10-16-8-2-4-12-18(16)22(25)26/h1-14H
InChIKeyPXADKZMQRKBQMZ-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.29
Rot. Bonds7

About 3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine

3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine (PubChem CID 4665830) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine.

Molecular Properties

Compound Name3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
PubChem CID4665830
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
SMILESO=[N+]([O-])c1ccccc1C=CC=NN=CC=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H14N4O4/c23-21(24)17-11-3-1-7-15(17)9-5-13-19-20-14-6-10-16-8-2-4-12-18(16)22(25)26/h1-14H
InChIKeyPXADKZMQRKBQMZ-UHFFFAOYSA-N
XLogP4.29
TPSA111.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', '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'}

Analyze 3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine 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

(E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine
CID 139070229
2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
CID 9466475
(E,E)-3-(2-nitrophenyl)-N-(1H-pyrazol-5-yl)prop-2-en-1-imine
CID 177383525
3-methyl-N-[3-(2-nitrophenyl)prop-2-enylideneamino]-1,3-benzothiazol-2-imine
CID 4619168
(2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid
CID 92533335
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide
CID 5385147
N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(trifluoromethyl)aniline
CID 6892921
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine?
The IUPAC name of 3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine (CID 4665830) is 3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine.
What is the SMILES notation for 3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine?
The canonical SMILES for 3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine is O=[N+]([O-])c1ccccc1C=CC=NN=CC=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine?
The InChIKey is PXADKZMQRKBQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c23-21(24)17-11-3-1-7-15(17)9-5-13-19-20-14-6-10-16-8-2-4-12-18(16)22(25)26/h1-14H.
What are the key properties of 3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine?
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine has a molecular weight of 350.33 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine is sourced from PubChem (CID 4665830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).