1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene

C36H32N2O6 — CID 15217324

IUPAC1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
SMILESCC(C)(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C(C)(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C36H32N2O6/c1-35(2,27-9-17-31(18-10-27)43-33-21-13-29(14-22-33)37(39)40)25-5-7-26(8-6-25)36(3,4)28-11-19-32(20-12-28)44-34-23-15-30(16-24-34)38(41)42/h5-24H,1-4H3
InChIKeyZJEOOFPJAPHLAX-UHFFFAOYSA-N
MW588.66 g/mol
LogP9.74
Rot. Bonds10

About 1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene

1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene (PubChem CID 15217324) has the molecular formula C36H32N2O6 and a molecular weight of 588.66 g/mol. Its IUPAC name is 1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
PubChem CID15217324
Molecular FormulaC36H32N2O6
Molecular Weight588.66 g/mol
Exact Mass588.23
IUPAC Name1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
SMILESCC(C)(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C(C)(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C36H32N2O6/c1-35(2,27-9-17-31(18-10-27)43-33-21-13-29(14-22-33)37(39)40)25-5-7-26(8-6-25)36(3,4)28-11-19-32(20-12-28)44-34-23-15-30(16-24-34)38(41)42/h5-24H,1-4H3
InChIKeyZJEOOFPJAPHLAX-UHFFFAOYSA-N
XLogP9.74
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.66
LogP ≤ 59.74
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

1-nitro-4-[[4-[2-[4-[(4-nitrophenyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]benzene
CID 71425965
N-[4-[4-[2-[4-[4-(2,4-dinitroanilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-2,4-dinitroaniline
CID 3089132
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]octan-2-yl]benzene
CID 14418967
5-tert-butyl-2-(4-nitrophenoxy)aniline
CID 8002852
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
1-[1-[1,1-bis(4-nitrophenoxy)ethoxy]-1-(4-nitrophenoxy)ethoxy]-4-nitrobenzene
CID 20979717
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
1-(1,1-diiodoethoxy)-4-nitrobenzene
CID 163767908
(1R)-1-[4-(4-nitrophenoxy)phenyl]ethanamine
CID 78938194
1-(2,3-dimethylbutan-2-yl)-4-nitrobenzene
CID 121011525
1-(4-nitrophenoxy)-3-(trichloromethyl)benzene
CID 12765872
1-[2-methyl-1-[2-methyl-2-(4-nitrophenyl)butoxy]butan-2-yl]-4-nitrobenzene
CID 57114959

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene?
The IUPAC name of 1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene (CID 15217324) is 1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene is CC(C)(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C(C)(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene?
The InChIKey is ZJEOOFPJAPHLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O6/c1-35(2,27-9-17-31(18-10-27)43-33-21-13-29(14-22-33)37(39)40)25-5-7-26(8-6-25)36(3,4)28-11-19-32(20-12-28)44-34-23-15-30(16-24-34)38(41)42/h5-24H,1-4H3.
What are the key properties of 1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene?
1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene has a molecular weight of 588.66 g/mol, XLogP of 9.74, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 15217324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).