formaldehyde;bis(1-nitro-4-phenylbenzene)

C25H20N2O5 — CID 174842779

IUPACformaldehyde;bis(1-nitro-4-phenylbenzene)
SMILESC=O.O=[N+]([O-])c1ccc(-c2ccccc2)cc1.O=[N+]([O-])c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H9NO2.CH2O/c2*14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2/h2*1-9H;1H2
InChIKeyOCHXODVTZOFKEL-UHFFFAOYSA-N
MW428.44 g/mol
LogP6.34
Rot. Bonds4

About formaldehyde;bis(1-nitro-4-phenylbenzene)

formaldehyde;bis(1-nitro-4-phenylbenzene) (PubChem CID 174842779) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is formaldehyde;bis(1-nitro-4-phenylbenzene).

Molecular Properties

Compound Nameformaldehyde;bis(1-nitro-4-phenylbenzene)
PubChem CID174842779
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Nameformaldehyde;bis(1-nitro-4-phenylbenzene)
SMILESC=O.O=[N+]([O-])c1ccc(-c2ccccc2)cc1.O=[N+]([O-])c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H9NO2.CH2O/c2*14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2/h2*1-9H;1H2
InChIKeyOCHXODVTZOFKEL-UHFFFAOYSA-N
XLogP6.34
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-nitro-4-phenylbenzene;sulfurochloridic acid
CID 23180093
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
benzene;iron;nitrobenzene
CID 174446919
azane;nitrobenzene
CID 23197461
arsane;nitrobenzene
CID 174282180
calcium nitrobenzene
CID 67916702
azanium nitrobenzene
CID 22989049
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
2-nitro-7-phenylanthracene
CID 54232737

Frequently Asked Questions

What is the IUPAC name of formaldehyde;bis(1-nitro-4-phenylbenzene)?
The IUPAC name of formaldehyde;bis(1-nitro-4-phenylbenzene) (CID 174842779) is formaldehyde;bis(1-nitro-4-phenylbenzene).
What is the SMILES notation for formaldehyde;bis(1-nitro-4-phenylbenzene)?
The canonical SMILES for formaldehyde;bis(1-nitro-4-phenylbenzene) is C=O.O=[N+]([O-])c1ccc(-c2ccccc2)cc1.O=[N+]([O-])c1ccc(-c2ccccc2)cc1.
What is the InChIKey of formaldehyde;bis(1-nitro-4-phenylbenzene)?
The InChIKey is OCHXODVTZOFKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H9NO2.CH2O/c2*14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2/h2*1-9H;1H2.
What are the key properties of formaldehyde;bis(1-nitro-4-phenylbenzene)?
formaldehyde;bis(1-nitro-4-phenylbenzene) has a molecular weight of 428.44 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis(1-nitro-4-phenylbenzene) is sourced from PubChem (CID 174842779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).