1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene

C32H24N2O6 — CID 3090038

IUPAC1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene
SMILESCC(c1ccccc1)(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C32H24N2O6/c1-32(23-5-3-2-4-6-23,24-7-15-28(16-8-24)39-30-19-11-26(12-20-30)33(35)36)25-9-17-29(18-10-25)40-31-21-13-27(14-22-31)34(37)38/h2-22H,1H3
InChIKeyJNZUPVCYWQOETL-UHFFFAOYSA-N
MW532.55 g/mol
LogP8.44
Rot. Bonds9

About 1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene

1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene (PubChem CID 3090038) has the molecular formula C32H24N2O6 and a molecular weight of 532.55 g/mol. Its IUPAC name is 1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene.

Molecular Properties

Compound Name1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene
PubChem CID3090038
Molecular FormulaC32H24N2O6
Molecular Weight532.55 g/mol
Exact Mass532.16
IUPAC Name1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene
SMILESCC(c1ccccc1)(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C32H24N2O6/c1-32(23-5-3-2-4-6-23,24-7-15-28(16-8-24)39-30-19-11-26(12-20-30)33(35)36)25-9-17-29(18-10-25)40-31-21-13-27(14-22-31)34(37)38/h2-22H,1H3
InChIKeyJNZUPVCYWQOETL-UHFFFAOYSA-N
XLogP8.44
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.55
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene?
The IUPAC name of 1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene (CID 3090038) is 1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene.
What is the SMILES notation for 1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene?
The canonical SMILES for 1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene is CC(c1ccccc1)(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene?
The InChIKey is JNZUPVCYWQOETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O6/c1-32(23-5-3-2-4-6-23,24-7-15-28(16-8-24)39-30-19-11-26(12-20-30)33(35)36)25-9-17-29(18-10-25)40-31-21-13-27(14-22-31)34(37)38/h2-22H,1H3.
What are the key properties of 1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene?
1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene has a molecular weight of 532.55 g/mol, XLogP of 8.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-1-phenylethyl]benzene is sourced from PubChem (CID 3090038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).