1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene

C28H36N2O4 — CID 11648366

IUPAC1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene
SMILESCCCC(/C(CCC)=C(/CCC)c1cccc([N+](=O)[O-])c1)=C(\CCC)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C28H36N2O4/c1-5-11-25(21-15-9-17-23(19-21)29(31)32)27(13-7-3)28(14-8-4)26(12-6-2)22-16-10-18-24(20-22)30(33)34/h9-10,15-20H,5-8,11-14H2,1-4H3/b27-25-,28-26-
InChIKeyLSGNOMAEVCOCIQ-LBXGSASVSA-N
MW464.61 g/mol
LogP8.91
Rot. Bonds13

About 1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene

1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene (PubChem CID 11648366) has the molecular formula C28H36N2O4 and a molecular weight of 464.61 g/mol. Its IUPAC name is 1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene.

Molecular Properties

Compound Name1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene
PubChem CID11648366
Molecular FormulaC28H36N2O4
Molecular Weight464.61 g/mol
Exact Mass464.27
IUPAC Name1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene
SMILESCCCC(/C(CCC)=C(/CCC)c1cccc([N+](=O)[O-])c1)=C(\CCC)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C28H36N2O4/c1-5-11-25(21-15-9-17-23(19-21)29(31)32)27(13-7-3)28(14-8-4)26(12-6-2)22-16-10-18-24(20-22)30(33)34/h9-10,15-20H,5-8,11-14H2,1-4H3/b27-25-,28-26-
InChIKeyLSGNOMAEVCOCIQ-LBXGSASVSA-N
XLogP8.91
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-nitrophenyl)hexan-1-one
CID 12026868
1,3-dinitrobenzene;ethyl butanoate
CID 174738528
[(Z)-1-(3-nitrophenyl)butylideneamino]urea
CID 9017207
1-(3-nitrophenyl)butan-1-one;(E)-1-(3-nitrophenyl)butylidenehydrazine
CID 172928678
N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide
CID 9058741
(R)-2-methyl-N-[1-(3-nitrophenyl)butylidene]propane-2-sulfinamide
CID 86661857
1-methyl-3-[(Z)-1-(3-nitrophenyl)butylideneamino]thiourea
CID 9071443
ethyl 3-nitrobenzenecarbodithioate
CID 597170
butane;1,3-dinitrobenzene;bis(2-methylprop-2-enoic acid)
CID 174268515
3-nitrobenzoyl iodide
CID 87511250
1-(3-nitrophenyl)ethenol
CID 12600881
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907

Frequently Asked Questions

What is the IUPAC name of 1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene?
The IUPAC name of 1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene (CID 11648366) is 1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene.
What is the SMILES notation for 1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene?
The canonical SMILES for 1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene is CCCC(/C(CCC)=C(/CCC)c1cccc([N+](=O)[O-])c1)=C(\CCC)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene?
The InChIKey is LSGNOMAEVCOCIQ-LBXGSASVSA-N. The full InChI is InChI=1S/C28H36N2O4/c1-5-11-25(21-15-9-17-23(19-21)29(31)32)27(13-7-3)28(14-8-4)26(12-6-2)22-16-10-18-24(20-22)30(33)34/h9-10,15-20H,5-8,11-14H2,1-4H3/b27-25-,28-26-.
What are the key properties of 1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene?
1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene has a molecular weight of 464.61 g/mol, XLogP of 8.91, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-3-[(4Z,6Z)-7-(3-nitrophenyl)-5,6-dipropyldeca-4,6-dien-4-yl]benzene is sourced from PubChem (CID 11648366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).