4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene

C26H20N2O5 — CID 88772999

IUPAC4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene
SMILESO=[N+]([O-])c1ccc(COCc2ccc([N+](=O)[O-])cc2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C26H20N2O5/c29-27(30)23-13-11-21(25(15-23)19-7-3-1-4-8-19)17-33-18-22-12-14-24(28(31)32)16-26(22)20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeySNCZUUGYASZAJZ-UHFFFAOYSA-N
MW440.46 g/mol
LogP6.55
Rot. Bonds8

About 4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene

4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene (PubChem CID 88772999) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene.

Molecular Properties

Compound Name4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene
PubChem CID88772999
Molecular FormulaC26H20N2O5
Molecular Weight440.46 g/mol
Exact Mass440.14
IUPAC Name4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene
SMILESO=[N+]([O-])c1ccc(COCc2ccc([N+](=O)[O-])cc2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C26H20N2O5/c29-27(30)23-13-11-21(25(15-23)19-7-3-1-4-8-19)17-33-18-22-12-14-24(28(31)32)16-26(22)20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeySNCZUUGYASZAJZ-UHFFFAOYSA-N
XLogP6.55
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 56.55
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

(4-nitro-2-phenylphenyl) hydrogen carbonate
CID 53438460
N'-[3-(4-nitro-2-phenylphenyl)propyl]ethane-1,2-diamine
CID 87780608
2-(bromomethyl)-4-nitro-1-phenylbenzene
CID 14317417
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
CID 56975056
4-nitro-2-phenyl-1-propan-2-ylbenzene
CID 71283713
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
(4,5-dimethoxy-2-nitrophenyl)methyl (4-nitro-2-phenylphenyl) carbonate
CID 140565227
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene
CID 141390803
4-(5-nitro-2-phenylphenoxy)phenol
CID 70376187
1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine
CID 101448759

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene?
The IUPAC name of 4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene (CID 88772999) is 4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene.
What is the SMILES notation for 4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene?
The canonical SMILES for 4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene is O=[N+]([O-])c1ccc(COCc2ccc([N+](=O)[O-])cc2-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene?
The InChIKey is SNCZUUGYASZAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5/c29-27(30)23-13-11-21(25(15-23)19-7-3-1-4-8-19)17-33-18-22-12-14-24(28(31)32)16-26(22)20-9-5-2-6-10-20/h1-16H,17-18H2.
What are the key properties of 4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene?
4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene has a molecular weight of 440.46 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene is sourced from PubChem (CID 88772999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).