1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene

C26H18N2O4 — CID 134923632

IUPAC1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene
SMILESO=[N+]([O-])C(=C(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C26H18N2O4/c29-27(30)26(28(31)32)25(23-17-9-7-15-21(23)19-11-3-1-4-12-19)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H
InChIKeyMDHYWRFIHQACEK-UHFFFAOYSA-N
MW422.44 g/mol
LogP6.29
Rot. Bonds6

About 1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene

1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene (PubChem CID 134923632) has the molecular formula C26H18N2O4 and a molecular weight of 422.44 g/mol. Its IUPAC name is 1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene.

Molecular Properties

Compound Name1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene
PubChem CID134923632
Molecular FormulaC26H18N2O4
Molecular Weight422.44 g/mol
Exact Mass422.13
IUPAC Name1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene
SMILESO=[N+]([O-])C(=C(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C26H18N2O4/c29-27(30)26(28(31)32)25(23-17-9-7-15-21(23)19-11-3-1-4-12-19)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H
InChIKeyMDHYWRFIHQACEK-UHFFFAOYSA-N
XLogP6.29
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 56.29
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'}

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Related Compounds

azulen-1-yl(nitro)methanone
CID 177307251
1-(2-nitro-3-phenylphenyl)ethanone
CID 67871724
acetylene;2-phenylbenzoic acid
CID 67726329
5-nitro-2-phenylbenzoyl chloride
CID 21406523
2,4-dioxo-4-(2-phenylphenyl)butanoic acid
CID 23623031
2-oxo-2-(2-phenylphenyl)acetyl chloride
CID 87185845
2-(4-nitrophenyl)benzenecarbothioamide
CID 87769374
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
[amino-(2-phenylphenyl)methylidene]azanium
CID 6346948
(Z)-3-oxo-1-(2-phenylphenyl)but-1-en-1-olate
CID 134115873
N-hydroxy-2-(2-phenylphenyl)benzamide
CID 58121046

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene?
The IUPAC name of 1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene (CID 134923632) is 1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene.
What is the SMILES notation for 1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene?
The canonical SMILES for 1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene is O=[N+]([O-])C(=C(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1)[N+](=O)[O-].
What is the InChIKey of 1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene?
The InChIKey is MDHYWRFIHQACEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O4/c29-27(30)26(28(31)32)25(23-17-9-7-15-21(23)19-11-3-1-4-12-19)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene?
1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene has a molecular weight of 422.44 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dinitro-1-(2-phenylphenyl)ethenyl]-2-phenylbenzene is sourced from PubChem (CID 134923632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).