[4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate

C63H55NO6 — CID 58590228

IUPAC[4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
SMILESCOc1ccc(C(=Cc2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc(OC(=O)Oc3ccc(C4(c5ccc(OC(C)=O)cc5)CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C63H55NO6/c1-43(65)68-53-34-23-47(24-35-53)63(39-11-6-12-40-63)48-25-36-55(37-26-48)70-61(66)69-54-32-21-46(22-33-54)58(45-19-30-52(67-4)31-20-45)41-44-17-27-50(28-18-44)64(49-13-7-5-8-14-49)51-29-38-57-56-15-9-10-16-59(56)62(2,3)60(57)42-51/h5,7-10,13-38,41-42H,6,11-12,39-40H2,1-4H3
InChIKeyAUDNLLXOILTOKB-UHFFFAOYSA-N
MW922.13 g/mol
LogP15.81
Rot. Bonds12

About [4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate

[4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate (PubChem CID 58590228) has the molecular formula C63H55NO6 and a molecular weight of 922.13 g/mol. Its IUPAC name is [4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
PubChem CID58590228
Molecular FormulaC63H55NO6
Molecular Weight922.13 g/mol
Exact Mass921.40
IUPAC Name[4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
SMILESCOc1ccc(C(=Cc2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc(OC(=O)Oc3ccc(C4(c5ccc(OC(C)=O)cc5)CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C63H55NO6/c1-43(65)68-53-34-23-47(24-35-53)63(39-11-6-12-40-63)48-25-36-55(37-26-48)70-61(66)69-54-32-21-46(22-33-54)58(45-19-30-52(67-4)31-20-45)41-44-17-27-50(28-18-44)64(49-13-7-5-8-14-49)51-29-38-57-56-15-9-10-16-59(56)62(2,3)60(57)42-51/h5,7-10,13-38,41-42H,6,11-12,39-40H2,1-4H3
InChIKeyAUDNLLXOILTOKB-UHFFFAOYSA-N
XLogP15.81
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.13
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-[4-[4-[(E)-1-(4-methoxyphenyl)-2-phenylethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 20709036
[4-[1-[4-[3-[2-[4-(N-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate
CID 59061621
9,9-dimethyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 174254615
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
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-[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
1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 54475914
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134516059
2-N-[4-(N-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]anilino)phenyl]-9,9-dimethyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;2-N',7-N',7-N'-triphenyl-2-N'-[4-(N-[7'-(N-phenylanilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 159780525
[4-[bis[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)benzoyl]oxyphenyl]methyl]phenyl] 4-(N-(9,9-dimethylfluoren-2-yl)anilino)benzoate
CID 139978898
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845

Frequently Asked Questions

What is the IUPAC name of [4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate?
The IUPAC name of [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) is [4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate.
What is the SMILES notation for [4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate?
The canonical SMILES for [4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate is COc1ccc(C(=Cc2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc(OC(=O)Oc3ccc(C4(c5ccc(OC(C)=O)cc5)CCCCC4)cc3)cc2)cc1.
What is the InChIKey of [4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate?
The InChIKey is AUDNLLXOILTOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H55NO6/c1-43(65)68-53-34-23-47(24-35-53)63(39-11-6-12-40-63)48-25-36-55(37-26-48)70-61(66)69-54-32-21-46(22-33-54)58(45-19-30-52(67-4)31-20-45)41-44-17-27-50(28-18-44)64(49-13-7-5-8-14-49)51-29-38-57-56-15-9-10-16-59(56)62(2,3)60(57)42-51/h5,7-10,13-38,41-42H,6,11-12,39-40H2,1-4H3.
What are the key properties of [4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate?
[4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate has a molecular weight of 922.13 g/mol, XLogP of 15.81, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenoxy]carbonyloxyphenyl]cyclohexyl]phenyl] acetate is sourced from PubChem (CID 58590228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).