[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate

C88H80N2O8 — CID 20728919

IUPAC[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate
SMILESCOc1ccc(C2(c3ccc(OC(=O)COc4cccc(N(c5ccccc5)c5ccc(/C=C/c6ccc(/C=C/c7ccc(N(c8ccccc8)c8cccc(OCC(=O)Oc9ccc(C%10(c%11ccc(OC)cc%11)CCCCC%10)cc9)c8)cc7)cc6)cc5)c4)cc3)CCCCC2)cc1
InChIInChI=1S/C88H80N2O8/c1-93-79-49-37-69(38-50-79)87(57-11-5-12-58-87)71-41-53-81(54-42-71)97-85(91)63-95-83-23-15-21-77(61-83)89(73-17-7-3-8-18-73)75-45-33-67(34-46-75)31-29-65-25-27-66(28-26-65)30-32-68-35-47-76(48-36-68)90(74-19-9-4-10-20-74)78-22-16-24-84(62-78)96-64-86(92)98-82-55-43-72(44-56-82)88(59-13-6-14-60-88)70-39-51-80(94-2)52-40-70/h3-4,7-10,15-56,61-62H,5-6,11-14,57-60,63-64H2,1-2H3/b31-29+,32-30+
InChIKeyRQFYGRWAPJAZMV-JWTBXLROSA-N
MW1293.61 g/mol
LogP21.45
Rot. Bonds24

About [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate

[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate (PubChem CID 20728919) has the molecular formula C88H80N2O8 and a molecular weight of 1293.61 g/mol. Its IUPAC name is [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate.

Molecular Properties

Compound Name[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate
PubChem CID20728919
Molecular FormulaC88H80N2O8
Molecular Weight1293.61 g/mol
Exact Mass1292.59
IUPAC Name[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate
SMILESCOc1ccc(C2(c3ccc(OC(=O)COc4cccc(N(c5ccccc5)c5ccc(/C=C/c6ccc(/C=C/c7ccc(N(c8ccccc8)c8cccc(OCC(=O)Oc9ccc(C%10(c%11ccc(OC)cc%11)CCCCC%10)cc9)c8)cc7)cc6)cc5)c4)cc3)CCCCC2)cc1
InChIInChI=1S/C88H80N2O8/c1-93-79-49-37-69(38-50-79)87(57-11-5-12-58-87)71-41-53-81(54-42-71)97-85(91)63-95-83-23-15-21-77(61-83)89(73-17-7-3-8-18-73)75-45-33-67(34-46-75)31-29-65-25-27-66(28-26-65)30-32-68-35-47-76(48-36-68)90(74-19-9-4-10-20-74)78-22-16-24-84(62-78)96-64-86(92)98-82-55-43-72(44-56-82)88(59-13-6-14-60-88)70-39-51-80(94-2)52-40-70/h3-4,7-10,15-56,61-62H,5-6,11-14,57-60,63-64H2,1-2H3/b31-29+,32-30+
InChIKeyRQFYGRWAPJAZMV-JWTBXLROSA-N
XLogP21.45
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001293.61
LogP ≤ 521.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate with MolForge

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Related Compounds

[4-[1-[4-[3-[2-[4-(N-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 59061621
[4-[1-[4-[3-[(E)-2-[4-(N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 20582060
[4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 58590228
[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl] propanoate
CID 58814424
[4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate
CID 59832713
4-methyl-N-[4-[1-[4-(4-methyl-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 68590819
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
[4-[1-[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxyphenyl)ethyl]-N-(3-methylphenyl)anilino]-3-methylphenyl]-2-methyl-N-(3-methylphenyl)anilino]phenyl]ethyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 20609231
[3-[(E)-2-[4-(N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]ethenyl]phenyl] 2-oxopropyl carbonate
CID 20582103
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
[4-[1-(4-methoxyphenyl)cyclododecyl]phenyl] 3-acetylbenzoate
CID 153428107

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate?
The IUPAC name of [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate (CID 20728919) is [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate.
What is the SMILES notation for [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate?
The canonical SMILES for [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate is COc1ccc(C2(c3ccc(OC(=O)COc4cccc(N(c5ccccc5)c5ccc(/C=C/c6ccc(/C=C/c7ccc(N(c8ccccc8)c8cccc(OCC(=O)Oc9ccc(C%10(c%11ccc(OC)cc%11)CCCCC%10)cc9)c8)cc7)cc6)cc5)c4)cc3)CCCCC2)cc1.
What is the InChIKey of [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate?
The InChIKey is RQFYGRWAPJAZMV-JWTBXLROSA-N. The full InChI is InChI=1S/C88H80N2O8/c1-93-79-49-37-69(38-50-79)87(57-11-5-12-58-87)71-41-53-81(54-42-71)97-85(91)63-95-83-23-15-21-77(61-83)89(73-17-7-3-8-18-73)75-45-33-67(34-46-75)31-29-65-25-27-66(28-26-65)30-32-68-35-47-76(48-36-68)90(74-19-9-4-10-20-74)78-22-16-24-84(62-78)96-64-86(92)98-82-55-43-72(44-56-82)88(59-13-6-14-60-88)70-39-51-80(94-2)52-40-70/h3-4,7-10,15-56,61-62H,5-6,11-14,57-60,63-64H2,1-2H3/b31-29+,32-30+.
What are the key properties of [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate?
[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate has a molecular weight of 1293.61 g/mol, XLogP of 21.45, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-[3-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[3-[2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]-2-oxoethoxy]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenoxy]acetate is sourced from PubChem (CID 20728919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).