4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline

C64H44Cl4F6N2O2S2 — CID 146357101

IUPAC4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline
SMILESCOc1ccc(-c2sc(-c3ccc(N(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc3)cc2/C(CF)=C(\c2cc(-c3ccc(N(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc3)sc2-c2ccc(OC)cc2)C(F)(F)C(F)(F)CF)cc1
InChIInChI=1S/C64H44Cl4F6N2O2S2/c1-77-53-31-7-41(8-32-53)61-55(35-58(79-61)39-3-19-47(20-4-39)75(49-23-11-43(65)12-24-49)50-25-13-44(66)14-26-50)57(37-69)60(64(73,74)63(71,72)38-70)56-36-59(80-62(56)42-9-33-54(78-2)34-10-42)40-5-21-48(22-6-40)76(51-27-15-45(67)16-28-51)52-29-17-46(68)18-30-52/h3-36H,37-38H2,1-2H3/b60-57+
InChIKeyHXSDNCLGZKDXHY-YDPROESPSA-N
MW1193.00 g/mol
LogP22.17
Rot. Bonds18

About 4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline

4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline (PubChem CID 146357101) has the molecular formula C64H44Cl4F6N2O2S2 and a molecular weight of 1193.00 g/mol. Its IUPAC name is 4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline.

Molecular Properties

Compound Name4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline
PubChem CID146357101
Molecular FormulaC64H44Cl4F6N2O2S2
Molecular Weight1193.00 g/mol
Exact Mass1190.15
IUPAC Name4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline
SMILESCOc1ccc(-c2sc(-c3ccc(N(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc3)cc2/C(CF)=C(\c2cc(-c3ccc(N(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc3)sc2-c2ccc(OC)cc2)C(F)(F)C(F)(F)CF)cc1
InChIInChI=1S/C64H44Cl4F6N2O2S2/c1-77-53-31-7-41(8-32-53)61-55(35-58(79-61)39-3-19-47(20-4-39)75(49-23-11-43(65)12-24-49)50-25-13-44(66)14-26-50)57(37-69)60(64(73,74)63(71,72)38-70)56-36-59(80-62(56)42-9-33-54(78-2)34-10-42)40-5-21-48(22-6-40)76(51-27-15-45(67)16-28-51)52-29-17-46(68)18-30-52/h3-36H,37-38H2,1-2H3/b60-57+
InChIKeyHXSDNCLGZKDXHY-YDPROESPSA-N
XLogP22.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.00
LogP ≤ 522.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline?
The IUPAC name of 4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline (CID 146357101) is 4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline.
What is the SMILES notation for 4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline?
The canonical SMILES for 4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline is COc1ccc(-c2sc(-c3ccc(N(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc3)cc2/C(CF)=C(\c2cc(-c3ccc(N(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc3)sc2-c2ccc(OC)cc2)C(F)(F)C(F)(F)CF)cc1.
What is the InChIKey of 4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline?
The InChIKey is HXSDNCLGZKDXHY-YDPROESPSA-N. The full InChI is InChI=1S/C64H44Cl4F6N2O2S2/c1-77-53-31-7-41(8-32-53)61-55(35-58(79-61)39-3-19-47(20-4-39)75(49-23-11-43(65)12-24-49)50-25-13-44(66)14-26-50)57(37-69)60(64(73,74)63(71,72)38-70)56-36-59(80-62(56)42-9-33-54(78-2)34-10-42)40-5-21-48(22-6-40)76(51-27-15-45(67)16-28-51)52-29-17-46(68)18-30-52/h3-36H,37-38H2,1-2H3/b60-57+.
What are the key properties of 4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline?
4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline has a molecular weight of 1193.00 g/mol, XLogP of 22.17, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-3-[5-[4-(4-chloro-N-(4-chlorophenyl)anilino)phenyl]-2-(4-methoxyphenyl)thiophen-3-yl]-1,4,4,5,5,6-hexafluorohex-2-en-2-yl]-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis(4-chlorophenyl)aniline is sourced from PubChem (CID 146357101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).