4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite

C90H113Br2N4O23P3 — CID 158952215

IUPAC4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite
SMILESCCOP(=O)(Cc1cc(OC)c(CP(=O)(OCC)OCC)cc1OC)OCC.CCOP(OCC)OCC.COc1cc(/C=C/c2ccc(N)cc2)c(OC)cc1/C=C/c1ccc(N)cc1.COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)cc1/C=C/c1ccc([N+](=O)[O-])cc1.COc1cc(CBr)c(OC)cc1CBr.COc1ccc(OC)cc1
InChIInChI=1S/C24H20N2O6.C24H24N2O2.C18H32O8P2.C10H12Br2O2.C8H10O2.C6H15O3P/c1-31-23-15-20(10-4-18-7-13-22(14-8-18)26(29)30)24(32-2)16-19(23)9-3-17-5-11-21(12-6-17)25(27)28;1-27-23-15-20(10-4-18-7-13-22(26)14-8-18)24(28-2)16-19(23)9-3-17-5-11-21(25)12-6-17;1-7-23-27(19,24-8-2)13-15-11-18(22-6)16(12-17(15)21-5)14-28(20,25-9-3)26-10-4;1-13-9-3-8(6-12)10(14-2)4-7(9)5-11;1-9-7-3-5-8(10-2)6-4-7;1-4-7-10(8-5-2)9-6-3/h3-16H,1-2H3;3-16H,25-26H2,1-2H3;11-12H,7-10,13-14H2,1-6H3;3-4H,5-6H2,1-2H3;3-6H,1-2H3;4-6H2,1-3H3/b2*9-3+,10-4+;;;;
InChIKeyJLOMVAVHGKMSRM-WXVMGMPLSA-N
MW1871.63 g/mol
LogP23.83
Rot. Bonds40

About 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite

4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite (PubChem CID 158952215) has the molecular formula C90H113Br2N4O23P3 and a molecular weight of 1871.63 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite
PubChem CID158952215
Molecular FormulaC90H113Br2N4O23P3
Molecular Weight1871.63 g/mol
Exact Mass1868.54
IUPAC Name4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite
SMILESCCOP(=O)(Cc1cc(OC)c(CP(=O)(OCC)OCC)cc1OC)OCC.CCOP(OCC)OCC.COc1cc(/C=C/c2ccc(N)cc2)c(OC)cc1/C=C/c1ccc(N)cc1.COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)cc1/C=C/c1ccc([N+](=O)[O-])cc1.COc1cc(CBr)c(OC)cc1CBr.COc1ccc(OC)cc1
InChIInChI=1S/C24H20N2O6.C24H24N2O2.C18H32O8P2.C10H12Br2O2.C8H10O2.C6H15O3P/c1-31-23-15-20(10-4-18-7-13-22(14-8-18)26(29)30)24(32-2)16-19(23)9-3-17-5-11-21(12-6-17)25(27)28;1-27-23-15-20(10-4-18-7-13-22(26)14-8-18)24(28-2)16-19(23)9-3-17-5-11-21(25)12-6-17;1-7-23-27(19,24-8-2)13-15-11-18(22-6)16(12-17(15)21-5)14-28(20,25-9-3)26-10-4;1-13-9-3-8(6-12)10(14-2)4-7(9)5-11;1-9-7-3-5-8(10-2)6-4-7;1-4-7-10(8-5-2)9-6-3/h3-16H,1-2H3;3-16H,25-26H2,1-2H3;11-12H,7-10,13-14H2,1-6H3;3-4H,5-6H2,1-2H3;3-6H,1-2H3;4-6H2,1-3H3/b2*9-3+,10-4+;;;;
InChIKeyJLOMVAVHGKMSRM-WXVMGMPLSA-N
XLogP23.83
TPSA329.37 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001871.63
LogP ≤ 523.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite with MolForge

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Related Compounds

2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane
CID 90729322
5-(diethoxyphosphorylmethyl)-1-methoxy-3-(methoxymethoxy)-2-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 58329975
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
1-fluoro-4-nitrobenzene;methane;bis(4-methoxyaniline);1-methoxy-4-nitrobenzene;propane
CID 159080860
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
[2,5-bis(8-bromooctoxy)-4-(diethoxyphosphorylmethyl)phenyl]methyl diethyl phosphite
CID 59769793
1,3-bis(diethoxyphosphorylmethyl)-5-nitrobenzene
CID 132525939
9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene
CID 139774271
2-bromo-6-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740130
2-methoxy-4-[(E)-2-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide
CID 10503390

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite (CID 158952215) is 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite is CCOP(=O)(Cc1cc(OC)c(CP(=O)(OCC)OCC)cc1OC)OCC.CCOP(OCC)OCC.COc1cc(/C=C/c2ccc(N)cc2)c(OC)cc1/C=C/c1ccc(N)cc1.COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)cc1/C=C/c1ccc([N+](=O)[O-])cc1.COc1cc(CBr)c(OC)cc1CBr.COc1ccc(OC)cc1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite?
The InChIKey is JLOMVAVHGKMSRM-WXVMGMPLSA-N. The full InChI is InChI=1S/C24H20N2O6.C24H24N2O2.C18H32O8P2.C10H12Br2O2.C8H10O2.C6H15O3P/c1-31-23-15-20(10-4-18-7-13-22(14-8-18)26(29)30)24(32-2)16-19(23)9-3-17-5-11-21(12-6-17)25(27)28;1-27-23-15-20(10-4-18-7-13-22(26)14-8-18)24(28-2)16-19(23)9-3-17-5-11-21(25)12-6-17;1-7-23-27(19,24-8-2)13-15-11-18(22-6)16(12-17(15)21-5)14-28(20,25-9-3)26-10-4;1-13-9-3-8(6-12)10(14-2)4-7(9)5-11;1-9-7-3-5-8(10-2)6-4-7;1-4-7-10(8-5-2)9-6-3/h3-16H,1-2H3;3-16H,25-26H2,1-2H3;11-12H,7-10,13-14H2,1-6H3;3-4H,5-6H2,1-2H3;3-6H,1-2H3;4-6H2,1-3H3/b2*9-3+,10-4+;;;;.
What are the key properties of 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite?
4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite has a molecular weight of 1871.63 g/mol, XLogP of 23.83, 40 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;1,4-bis(bromomethyl)-2,5-dimethoxybenzene;1,4-bis(diethoxyphosphorylmethyl)-2,5-dimethoxybenzene;1,4-dimethoxybenzene;1,4-dimethoxy-2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]benzene;triethyl phosphite is sourced from PubChem (CID 158952215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).