4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline

C105H54F54N6 — CID 102416899

IUPAC4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(N(c2ccc(/C=C/c3ccc(-c4nc(-c5ccc(/C=C/c6ccc(N(c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)cc6)cc5)nc(-c5ccc(/C=C/c6ccc(N(c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)cc6)cc5)n4)cc3)cc2)c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C105H54F54N6/c106-82(107,88(118,119)94(130,131)100(142,143)144)64-25-43-73(44-26-64)163(74-45-27-65(28-46-74)83(108,109)89(120,121)95(132,133)101(145,146)147)70-37-13-58(14-38-70)4-1-55-7-19-61(20-8-55)79-160-80(62-21-9-56(10-22-62)2-5-59-15-39-71(40-16-59)164(75-47-29-66(30-48-75)84(110,111)90(122,123)96(134,135)102(148,149)150)76-49-31-67(32-50-76)85(112,113)91(124,125)97(136,137)103(151,152)153)162-81(161-79)63-23-11-57(12-24-63)3-6-60-17-41-72(42-18-60)165(77-51-33-68(34-52-77)86(114,115)92(126,127)98(138,139)104(154,155)156)78-53-35-69(36-54-78)87(116,117)93(128,129)99(140,141)105(157,158)159/h1-54H/b4-1+,5-2+,6-3+
InChIKeySTSFAQJLZPOHLT-GZDDRBCLSA-N
MW2425.52 g/mol
LogP39.34
Rot. Bonds36

About 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline

4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline (PubChem CID 102416899) has the molecular formula C105H54F54N6 and a molecular weight of 2425.52 g/mol. Its IUPAC name is 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
PubChem CID102416899
Molecular FormulaC105H54F54N6
Molecular Weight2425.52 g/mol
Exact Mass2424.35
IUPAC Name4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(N(c2ccc(/C=C/c3ccc(-c4nc(-c5ccc(/C=C/c6ccc(N(c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)cc6)cc5)nc(-c5ccc(/C=C/c6ccc(N(c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)cc6)cc5)n4)cc3)cc2)c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C105H54F54N6/c106-82(107,88(118,119)94(130,131)100(142,143)144)64-25-43-73(44-26-64)163(74-45-27-65(28-46-74)83(108,109)89(120,121)95(132,133)101(145,146)147)70-37-13-58(14-38-70)4-1-55-7-19-61(20-8-55)79-160-80(62-21-9-56(10-22-62)2-5-59-15-39-71(40-16-59)164(75-47-29-66(30-48-75)84(110,111)90(122,123)96(134,135)102(148,149)150)76-49-31-67(32-50-76)85(112,113)91(124,125)97(136,137)103(151,152)153)162-81(161-79)63-23-11-57(12-24-63)3-6-60-17-41-72(42-18-60)165(77-51-33-68(34-52-77)86(114,115)92(126,127)98(138,139)104(154,155)156)78-53-35-69(36-54-78)87(116,117)93(128,129)99(140,141)105(157,158)159/h1-54H/b4-1+,5-2+,6-3+
InChIKeySTSFAQJLZPOHLT-GZDDRBCLSA-N
XLogP39.34
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002425.52
LogP ≤ 539.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline with MolForge

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Related Compounds

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CID 118528399
4',4''',4'''''-(1,3,5-Triazine-2,4,6-triyl)tris([1,1'-biphenyl]-4-amine)
CID 154703059
4-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N,N-dimethylaniline
CID 4594014
2-Fluoro-4-heptafluoroisopropyl-6-(4-dimethylaminophenyl)-1,3,5-triazine
CID 129862209
N-[4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
CID 139251198
2-(4,6-diphenyl-1,3,5-triazine-2-yl)-N,N-di-p-tolylaniline
CID 132992977
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
CID 132993147
10-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]phenoselenazine
CID 153436698
14-[4-[4,6-Bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 23527824
N-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 23527911
2-N-methyl-6-N-[4-(4-methylphenyl)phenyl]-2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 23593349

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline?
The IUPAC name of 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline (CID 102416899) is 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline?
The canonical SMILES for 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(N(c2ccc(/C=C/c3ccc(-c4nc(-c5ccc(/C=C/c6ccc(N(c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)cc6)cc5)nc(-c5ccc(/C=C/c6ccc(N(c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)c7ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc7)cc6)cc5)n4)cc3)cc2)c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline?
The InChIKey is STSFAQJLZPOHLT-GZDDRBCLSA-N. The full InChI is InChI=1S/C105H54F54N6/c106-82(107,88(118,119)94(130,131)100(142,143)144)64-25-43-73(44-26-64)163(74-45-27-65(28-46-74)83(108,109)89(120,121)95(132,133)101(145,146)147)70-37-13-58(14-38-70)4-1-55-7-19-61(20-8-55)79-160-80(62-21-9-56(10-22-62)2-5-59-15-39-71(40-16-59)164(75-47-29-66(30-48-75)84(110,111)90(122,123)96(134,135)102(148,149)150)76-49-31-67(32-50-76)85(112,113)91(124,125)97(136,137)103(151,152)153)162-81(161-79)63-23-11-57(12-24-63)3-6-60-17-41-72(42-18-60)165(77-51-33-68(34-52-77)86(114,115)92(126,127)98(138,139)104(154,155)156)78-53-35-69(36-54-78)87(116,117)93(128,129)99(140,141)105(157,158)159/h1-54H/b4-1+,5-2+,6-3+.
What are the key properties of 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline?
4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline has a molecular weight of 2425.52 g/mol, XLogP of 39.34, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline is sourced from PubChem (CID 102416899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).