1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine

C28H24N4O4 — CID 101127745

IUPAC1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
SMILESO=[N+]([O-])c1ccc(N2CC(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C28H24N4O4/c33-31(34)25-15-11-23(12-16-25)29-20-28(22-9-5-2-6-10-22)30(19-27(29)21-7-3-1-4-8-21)24-13-17-26(18-14-24)32(35)36/h1-18,27-28H,19-20H2
InChIKeyZAJLUBQPNOLKGF-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.31
Rot. Bonds6

About 1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine

1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine (PubChem CID 101127745) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is 1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine.

Molecular Properties

Compound Name1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
PubChem CID101127745
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC Name1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
SMILESO=[N+]([O-])c1ccc(N2CC(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C28H24N4O4/c33-31(34)25-15-11-23(12-16-25)29-20-28(22-9-5-2-6-10-22)30(19-27(29)21-7-3-1-4-8-21)24-13-17-26(18-14-24)32(35)36/h1-18,27-28H,19-20H2
InChIKeyZAJLUBQPNOLKGF-UHFFFAOYSA-N
XLogP6.31
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.31
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'}

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Related Compounds

2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine
CID 24756097
1-(4-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]aziridine
CID 89119970
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
1-(4-tert-butylphenyl)-2-phenylaziridine
CID 24756001
(2R,3R)-2-(4-nitrophenyl)-1-phenylazetidine-3-carbonitrile
CID 102576559
1-benzyl-2-(4-nitrophenyl)aziridine
CID 11368817
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane
CID 143902314
(3S,4S)-2,5-bis(4-nitrophenyl)-3,4-diphenyl-1-sulfanylidene-1,2,5-thiadiazolidine
CID 101438201
4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
CID 16796445
(2R)-4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
CID 95312194
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine?
The IUPAC name of 1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine (CID 101127745) is 1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine.
What is the SMILES notation for 1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine?
The canonical SMILES for 1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine is O=[N+]([O-])c1ccc(N2CC(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3)CC2c2ccccc2)cc1.
What is the InChIKey of 1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine?
The InChIKey is ZAJLUBQPNOLKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c33-31(34)25-15-11-23(12-16-25)29-20-28(22-9-5-2-6-10-22)30(19-27(29)21-7-3-1-4-8-21)24-13-17-26(18-14-24)32(35)36/h1-18,27-28H,19-20H2.
What are the key properties of 1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine?
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine has a molecular weight of 480.52 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine is sourced from PubChem (CID 101127745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).