4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline

C84H63F9N6 — CID 159877877

IUPAC4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline
SMILESCC(c1ccc(-c2nc(-c3ccc(C(C)(c4ccc(N(c5ccccc5)c5ccccc5)cc4)C(F)(F)F)cc3)nc(-c3ccc(C(C)(c4ccc(N(c5ccccc5)c5ccccc5)cc4)C(F)(F)F)cc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C84H63F9N6/c1-79(82(85,86)87,64-46-52-73(53-47-64)97(67-22-10-4-11-23-67)68-24-12-5-13-25-68)61-40-34-58(35-41-61)76-94-77(59-36-42-62(43-37-59)80(2,83(88,89)90)65-48-54-74(55-49-65)98(69-26-14-6-15-27-69)70-28-16-7-17-29-70)96-78(95-76)60-38-44-63(45-39-60)81(3,84(91,92)93)66-50-56-75(57-51-66)99(71-30-18-8-19-31-71)72-32-20-9-21-33-72/h4-57H,1-3H3
InChIKeyLIRFRVNBTVOOSR-UHFFFAOYSA-N
MW1327.45 g/mol
LogP23.89
Rot. Bonds18

About 4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline

4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline (PubChem CID 159877877) has the molecular formula C84H63F9N6 and a molecular weight of 1327.45 g/mol. Its IUPAC name is 4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline
PubChem CID159877877
Molecular FormulaC84H63F9N6
Molecular Weight1327.45 g/mol
Exact Mass1326.50
IUPAC Name4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline
SMILESCC(c1ccc(-c2nc(-c3ccc(C(C)(c4ccc(N(c5ccccc5)c5ccccc5)cc4)C(F)(F)F)cc3)nc(-c3ccc(C(C)(c4ccc(N(c5ccccc5)c5ccccc5)cc4)C(F)(F)F)cc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C84H63F9N6/c1-79(82(85,86)87,64-46-52-73(53-47-64)97(67-22-10-4-11-23-67)68-24-12-5-13-25-68)61-40-34-58(35-41-61)76-94-77(59-36-42-62(43-37-59)80(2,83(88,89)90)65-48-54-74(55-49-65)98(69-26-14-6-15-27-69)70-28-16-7-17-29-70)96-78(95-76)60-38-44-63(45-39-60)81(3,84(91,92)93)66-50-56-75(57-51-66)99(71-30-18-8-19-31-71)72-32-20-9-21-33-72/h4-57H,1-3H3
InChIKeyLIRFRVNBTVOOSR-UHFFFAOYSA-N
XLogP23.89
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001327.45
LogP ≤ 523.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9,9-dimethyl-9,10-dihydroacridine
CID 118528399
4',4''',4'''''-(1,3,5-Triazine-2,4,6-triyl)tris([1,1'-biphenyl]-4-amine)
CID 154703059
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
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
10-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 71007108
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
10-[3-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylacridine
CID 156062187
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-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline (CID 159877877) is 4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline is CC(c1ccc(-c2nc(-c3ccc(C(C)(c4ccc(N(c5ccccc5)c5ccccc5)cc4)C(F)(F)F)cc3)nc(-c3ccc(C(C)(c4ccc(N(c5ccccc5)c5ccccc5)cc4)C(F)(F)F)cc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline?
The InChIKey is LIRFRVNBTVOOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H63F9N6/c1-79(82(85,86)87,64-46-52-73(53-47-64)97(67-22-10-4-11-23-67)68-24-12-5-13-25-68)61-40-34-58(35-41-61)76-94-77(59-36-42-62(43-37-59)80(2,83(88,89)90)65-48-54-74(55-49-65)98(69-26-14-6-15-27-69)70-28-16-7-17-29-70)96-78(95-76)60-38-44-63(45-39-60)81(3,84(91,92)93)66-50-56-75(57-51-66)99(71-30-18-8-19-31-71)72-32-20-9-21-33-72/h4-57H,1-3H3.
What are the key properties of 4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline?
4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline has a molecular weight of 1327.45 g/mol, XLogP of 23.89, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 159877877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).