4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline

C64H54N2OS — CID 76816184

IUPAC4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline
SMILESC=CC=C(C=C)N(c1ccc(C(C=C)=CC=CN(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc3oc(=CC)c(=CCC4C=CC(c5ccc(-c6ccccc6)s5)=CC4)c3c2)cc1
InChIInChI=1S/C64H54N2OS/c1-5-19-54(7-3)66(57-37-32-49(33-38-57)48(6-2)22-18-45-65(55-23-14-10-15-24-55)56-25-16-11-17-26-56)58-39-34-50(35-40-58)53-36-42-62-60(46-53)59(61(8-4)67-62)41-29-47-27-30-52(31-28-47)64-44-43-63(68-64)51-20-12-9-13-21-51/h5-27,30-47H,1-3,28-29H2,4H3
InChIKeyLCPCMYYVDSNCEJ-UHFFFAOYSA-N
MW899.22 g/mol
LogP16.77
Rot. Bonds16

About 4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline

4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline (PubChem CID 76816184) has the molecular formula C64H54N2OS and a molecular weight of 899.22 g/mol. Its IUPAC name is 4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline
PubChem CID76816184
Molecular FormulaC64H54N2OS
Molecular Weight899.22 g/mol
Exact Mass898.40
IUPAC Name4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline
SMILESC=CC=C(C=C)N(c1ccc(C(C=C)=CC=CN(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc3oc(=CC)c(=CCC4C=CC(c5ccc(-c6ccccc6)s5)=CC4)c3c2)cc1
InChIInChI=1S/C64H54N2OS/c1-5-19-54(7-3)66(57-37-32-49(33-38-57)48(6-2)22-18-45-65(55-23-14-10-15-24-55)56-25-16-11-17-26-56)58-39-34-50(35-40-58)53-36-42-62-60(46-53)59(61(8-4)67-62)41-29-47-27-30-52(31-28-47)64-44-43-63(68-64)51-20-12-9-13-21-51/h5-27,30-47H,1-3,28-29H2,4H3
InChIKeyLCPCMYYVDSNCEJ-UHFFFAOYSA-N
XLogP16.77
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.22
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline with MolForge

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Related Compounds

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3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
CID 23593338
3-(2-Fluorophenyl)-6-(5-phenyl-2-thienyl)-3-(4-pyrrolidinophenyl)-3H-naphtho[2,1-b]pyran
CID 58274175
[4-[3-fluoro-4-(N-[2-fluoro-4-[3-(5-methylthiophen-2-yl)-4-prop-2-enoyloxyphenyl]phenyl]anilino)phenyl]-2-(5-methylthiophen-2-yl)phenyl] prop-2-enoate
CID 58520091
1-[4-[3-(2-Fluorophenyl)-6-(4-thiophen-2-ylphenyl)benzo[f]chromen-3-yl]phenyl]pyrrolidine
CID 68964661
4-[2-bis(2,4,6-trimethylphenyl)boranyl-6-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]-N,N-diphenylaniline
CID 132511295
N,N-bis(4-hexoxyphenyl)-4-[5-(4-thiatricyclo[5.2.2.02,6]undeca-2,5,8-trien-3-yl)-4-thiatricyclo[5.2.2.02,6]undeca-2,5,8-trien-3-yl]aniline
CID 139256802
[4-[3-fluoro-4-(N-[2-fluoro-4-[3-(5-methylthiophen-2-yl)-4-prop-2-enoyloxyphenyl]phenyl]anilino)phenyl]-2-thiophen-2-ylphenyl] prop-2-enoate
CID 143326286
2-(4-methoxyphenyl)-6-methyl-N-phenyl-N-[4-[(E)-2-thiophen-3-ylethenyl]phenyl]aniline
CID 20603520
N-[4-[4-[3-(diethylamino)propoxy]phenyl]phenyl]-N-(4-methylphenyl)thiophen-3-amine
CID 21019335
[4-[2-[4-[N-[2,2-bis(1-benzothiophen-2-yl)ethenyl]anilino]phenyl]ethenyl]phenyl] prop-2-enoate
CID 57596648

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline?
The IUPAC name of 4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline (CID 76816184) is 4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline.
What is the SMILES notation for 4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline?
The canonical SMILES for 4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline is C=CC=C(C=C)N(c1ccc(C(C=C)=CC=CN(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc3oc(=CC)c(=CCC4C=CC(c5ccc(-c6ccccc6)s5)=CC4)c3c2)cc1.
What is the InChIKey of 4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline?
The InChIKey is LCPCMYYVDSNCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N2OS/c1-5-19-54(7-3)66(57-37-32-49(33-38-57)48(6-2)22-18-45-65(55-23-14-10-15-24-55)56-25-16-11-17-26-56)58-39-34-50(35-40-58)53-36-42-62-60(46-53)59(61(8-4)67-62)41-29-47-27-30-52(31-28-47)64-44-43-63(68-64)51-20-12-9-13-21-51/h5-27,30-47H,1-3,28-29H2,4H3.
What are the key properties of 4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline?
4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline has a molecular weight of 899.22 g/mol, XLogP of 16.77, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethylidene-3-[2-[4-(5-phenylthiophen-2-yl)cyclohexa-2,4-dien-1-yl]ethylidene]-1-benzofuran-5-yl]-N-hexa-1,3,5-trien-3-yl-N-[4-[6-(N-phenylanilino)hexa-1,3,5-trien-3-yl]phenyl]aniline is sourced from PubChem (CID 76816184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).