1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene

C70H68N4O20S2 — CID 173194001

IUPAC1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene
SMILESCCOc1ccc(C=CC(c2ccc(OC)cc2)S(=O)(=O)C(C=Cc2ccc(OCC)c(OC)c2)c2ccc(OC)cc2)cc1OC.COc1ccc([N+](=O)[O-])cc1C(C=Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(C=Cc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C38H42O8S.C32H26N4O12S/c1-7-45-33-21-9-27(25-35(33)43-5)11-23-37(29-13-17-31(41-3)18-14-29)47(39,40)38(30-15-19-32(42-4)20-16-30)24-12-28-10-22-34(46-8-2)36(26-28)44-6;1-47-29-15-13-25(35(41)42)19-27(29)31(17-7-21-3-9-23(10-4-21)33(37)38)49(45,46)32(18-8-22-5-11-24(12-6-22)34(39)40)28-20-26(36(43)44)14-16-30(28)48-2/h9-26,37-38H,7-8H2,1-6H3;3-20,31-32H,1-2H3
InChIKeyGNADSHZTGSUSOJ-UHFFFAOYSA-N
MW1349.46 g/mol
LogP15.10
Rot. Bonds30

About 1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene

1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene (PubChem CID 173194001) has the molecular formula C70H68N4O20S2 and a molecular weight of 1349.46 g/mol. Its IUPAC name is 1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene
PubChem CID173194001
Molecular FormulaC70H68N4O20S2
Molecular Weight1349.46 g/mol
Exact Mass1348.39
IUPAC Name1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene
SMILESCCOc1ccc(C=CC(c2ccc(OC)cc2)S(=O)(=O)C(C=Cc2ccc(OCC)c(OC)c2)c2ccc(OC)cc2)cc1OC.COc1ccc([N+](=O)[O-])cc1C(C=Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(C=Cc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C38H42O8S.C32H26N4O12S/c1-7-45-33-21-9-27(25-35(33)43-5)11-23-37(29-13-17-31(41-3)18-14-29)47(39,40)38(30-15-19-32(42-4)20-16-30)24-12-28-10-22-34(46-8-2)36(26-28)44-6;1-47-29-15-13-25(35(41)42)19-27(29)31(17-7-21-3-9-23(10-4-21)33(37)38)49(45,46)32(18-8-22-5-11-24(12-6-22)34(39)40)28-20-26(36(43)44)14-16-30(28)48-2/h9-26,37-38H,7-8H2,1-6H3;3-20,31-32H,1-2H3
InChIKeyGNADSHZTGSUSOJ-UHFFFAOYSA-N
XLogP15.10
TPSA314.68 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001349.46
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene with MolForge

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Related Compounds

1-[3-[3-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
CID 68531173
1,3,5-trimethoxy-2-[3-(4-methoxy-3-nitrophenyl)-3-[1-(4-methoxy-3-nitrophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene
CID 142801189
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 139068939
3-(4-ethoxy-3-methoxyphenyl)-N-[(4-nitrophenyl)methyl]prop-2-enamide
CID 75842189
2-ethoxy-6-[3-[3-(3-ethoxy-2-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]phenol
CID 68534181
3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]benzaldehyde
CID 2293777
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
1-[3-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enyl]sulfonylprop-1-enyl]-2-nitrobenzene
CID 173033126
1-[(E)-3-(4-methoxyphenyl)-3-[(E)-1-(4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enyl]sulfonylprop-1-enyl]-2-nitrobenzene
CID 87211098
(E)-1-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 9030348
3-(4-ethoxy-3-methoxyphenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
CID 76860578
[2-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenyl] dimethyl phosphate
CID 68977103

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene?
The IUPAC name of 1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene (CID 173194001) is 1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene.
What is the SMILES notation for 1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene?
The canonical SMILES for 1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene is CCOc1ccc(C=CC(c2ccc(OC)cc2)S(=O)(=O)C(C=Cc2ccc(OCC)c(OC)c2)c2ccc(OC)cc2)cc1OC.COc1ccc([N+](=O)[O-])cc1C(C=Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(C=Cc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene?
The InChIKey is GNADSHZTGSUSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42O8S.C32H26N4O12S/c1-7-45-33-21-9-27(25-35(33)43-5)11-23-37(29-13-17-31(41-3)18-14-29)47(39,40)38(30-15-19-32(42-4)20-16-30)24-12-28-10-22-34(46-8-2)36(26-28)44-6;1-47-29-15-13-25(35(41)42)19-27(29)31(17-7-21-3-9-23(10-4-21)33(37)38)49(45,46)32(18-8-22-5-11-24(12-6-22)34(39)40)28-20-26(36(43)44)14-16-30(28)48-2/h9-26,37-38H,7-8H2,1-6H3;3-20,31-32H,1-2H3.
What are the key properties of 1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene?
1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene has a molecular weight of 1349.46 g/mol, XLogP of 15.10, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[3-[3-(4-ethoxy-3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2-methoxybenzene;1-methoxy-2-[1-[1-(2-methoxy-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enyl]sulfonyl-3-(4-nitrophenyl)prop-2-enyl]-4-nitrobenzene is sourced from PubChem (CID 173194001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).