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

C84H54F18N6 — CID 139321940

IUPAC4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline
SMILESFC(F)(F)C(c1ccc(-c2nc(-c3ccc(C(c4ccc(N(c5ccccc5)c5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)nc(-c3ccc(C(c4ccc(N(c5ccccc5)c5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C84H54F18N6/c85-79(86,87)76(80(88,89)90,61-43-49-70(50-44-61)106(64-19-7-1-8-20-64)65-21-9-2-10-22-65)58-37-31-55(32-38-58)73-103-74(56-33-39-59(40-34-56)77(81(91,92)93,82(94,95)96)62-45-51-71(52-46-62)107(66-23-11-3-12-24-66)67-25-13-4-14-26-67)105-75(104-73)57-35-41-60(42-36-57)78(83(97,98)99,84(100,101)102)63-47-53-72(54-48-63)108(68-27-15-5-16-28-68)69-29-17-6-18-30-69/h1-54H
InChIKeyHMAPVEJGNHHALF-UHFFFAOYSA-N
MW1489.36 g/mol
LogP25.51
Rot. Bonds18

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

4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline (PubChem CID 139321940) has the molecular formula C84H54F18N6 and a molecular weight of 1489.36 g/mol. Its IUPAC name is 4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline
PubChem CID139321940
Molecular FormulaC84H54F18N6
Molecular Weight1489.36 g/mol
Exact Mass1488.41
IUPAC Name4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline
SMILESFC(F)(F)C(c1ccc(-c2nc(-c3ccc(C(c4ccc(N(c5ccccc5)c5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)nc(-c3ccc(C(c4ccc(N(c5ccccc5)c5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C84H54F18N6/c85-79(86,87)76(80(88,89)90,61-43-49-70(50-44-61)106(64-19-7-1-8-20-64)65-21-9-2-10-22-65)58-37-31-55(32-38-58)73-103-74(56-33-39-59(40-34-56)77(81(91,92)93,82(94,95)96)62-45-51-71(52-46-62)107(66-23-11-3-12-24-66)67-25-13-4-14-26-67)105-75(104-73)57-35-41-60(42-36-57)78(83(97,98)99,84(100,101)102)63-47-53-72(54-48-63)108(68-27-15-5-16-28-68)69-29-17-6-18-30-69/h1-54H
InChIKeyHMAPVEJGNHHALF-UHFFFAOYSA-N
XLogP25.51
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001489.36
LogP ≤ 525.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline (CID 139321940) is 4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline is FC(F)(F)C(c1ccc(-c2nc(-c3ccc(C(c4ccc(N(c5ccccc5)c5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)nc(-c3ccc(C(c4ccc(N(c5ccccc5)c5ccccc5)cc4)(C(F)(F)F)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-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline?
The InChIKey is HMAPVEJGNHHALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54F18N6/c85-79(86,87)76(80(88,89)90,61-43-49-70(50-44-61)106(64-19-7-1-8-20-64)65-21-9-2-10-22-65)58-37-31-55(32-38-58)73-103-74(56-33-39-59(40-34-56)77(81(91,92)93,82(94,95)96)62-45-51-71(52-46-62)107(66-23-11-3-12-24-66)67-25-13-4-14-26-67)105-75(104-73)57-35-41-60(42-36-57)78(83(97,98)99,84(100,101)102)63-47-53-72(54-48-63)108(68-27-15-5-16-28-68)69-29-17-6-18-30-69/h1-54H.
What are the key properties of 4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline?
4-[2-[4-[4,6-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline has a molecular weight of 1489.36 g/mol, XLogP of 25.51, 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-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 139321940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).