6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate

C72H68N2O6 — CID 59061614

IUPAC6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate
SMILESCOc1ccc(/C(=C\c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccc(/C(=C/c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3ccc(OC(=O)OCCCCCCOC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C72H68N2O6/c1-51-11-31-62(32-12-51)73(63-33-13-52(2)14-34-63)66-39-19-56(20-40-66)49-70(60-27-43-68(77-6)44-28-60)58-23-25-59(26-24-58)71(61-29-45-69(46-30-61)80-72(76)79-48-10-8-7-9-47-78-55(5)75)50-57-21-41-67(42-22-57)74(64-35-15-53(3)16-36-64)65-37-17-54(4)18-38-65/h11-46,49-50H,7-10,47-48H2,1-6H3/b70-49-,71-50-
InChIKeyXZGNCJDSRDLVMR-MRPPRISISA-N
MW1057.34 g/mol
LogP18.69
Rot. Bonds21

About 6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate

6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate (PubChem CID 59061614) has the molecular formula C72H68N2O6 and a molecular weight of 1057.34 g/mol. Its IUPAC name is 6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate.

Molecular Properties

Compound Name6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate
PubChem CID59061614
Molecular FormulaC72H68N2O6
Molecular Weight1057.34 g/mol
Exact Mass1056.51
IUPAC Name6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate
SMILESCOc1ccc(/C(=C\c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccc(/C(=C/c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3ccc(OC(=O)OCCCCCCOC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C72H68N2O6/c1-51-11-31-62(32-12-51)73(63-33-13-52(2)14-34-63)66-39-19-56(20-40-66)49-70(60-27-43-68(77-6)44-28-60)58-23-25-59(26-24-58)71(61-29-45-69(46-30-61)80-72(76)79-48-10-8-7-9-47-78-55(5)75)50-57-21-41-67(42-22-57)74(64-35-15-53(3)16-36-64)65-37-17-54(4)18-38-65/h11-46,49-50H,7-10,47-48H2,1-6H3/b70-49-,71-50-
InChIKeyXZGNCJDSRDLVMR-MRPPRISISA-N
XLogP18.69
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.34
LogP ≤ 518.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate with MolForge

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Related Compounds

6-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate
CID 59061609
[4-[(E)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl] 2-oxopropyl carbonate
CID 20582109
[4-[(E)-2-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenyl] 2-oxopropyl carbonate
CID 20582106
N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214278
[4-[4-(acetyloxymethyl)-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino]phenyl]methyl acetate
CID 59801352
[4-[2-[4-[N-(4-methoxyphenyl)-4-(sulfanylmethyl)anilino]phenyl]-1-(4-methylphenyl)ethenyl]phenyl]methanethiol
CID 73461398
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
2-[4-[2-(9-ethylcarbazol-3-yl)-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyethyl acetate
CID 54408302
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
[4-[4-(hydroxymethyl)-N-[4-[(Z)-1-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-[(E)-2-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
CID 159978372
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58325614
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
CID 122467021

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate?
The IUPAC name of 6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate (CID 59061614) is 6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate.
What is the SMILES notation for 6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate?
The canonical SMILES for 6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate is COc1ccc(/C(=C\c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccc(/C(=C/c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3ccc(OC(=O)OCCCCCCOC(C)=O)cc3)cc2)cc1.
What is the InChIKey of 6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate?
The InChIKey is XZGNCJDSRDLVMR-MRPPRISISA-N. The full InChI is InChI=1S/C72H68N2O6/c1-51-11-31-62(32-12-51)73(63-33-13-52(2)14-34-63)66-39-19-56(20-40-66)49-70(60-27-43-68(77-6)44-28-60)58-23-25-59(26-24-58)71(61-29-45-69(46-30-61)80-72(76)79-48-10-8-7-9-47-78-55(5)75)50-57-21-41-67(42-22-57)74(64-35-15-53(3)16-36-64)65-37-17-54(4)18-38-65/h11-46,49-50H,7-10,47-48H2,1-6H3/b70-49-,71-50-.
What are the key properties of 6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate?
6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate has a molecular weight of 1057.34 g/mol, XLogP of 18.69, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate is sourced from PubChem (CID 59061614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).