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

C63H41F12N5 — CID 139321999

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline
SMILESFC(F)(F)C(c1ccc(-c2nc(-c3ccccc3)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/C63H41F12N5/c64-60(65,66)58(61(67,68)69,47-34-38-53(39-35-47)79(49-18-8-2-9-19-49)50-20-10-3-11-21-50)45-30-26-43(27-31-45)56-76-55(42-16-6-1-7-17-42)77-57(78-56)44-28-32-46(33-29-44)59(62(70,71)72,63(73,74)75)48-36-40-54(41-37-48)80(51-22-12-4-13-23-51)52-24-14-5-15-25-52/h1-41H
InChIKeyMXWJRVPTWZOMBI-UHFFFAOYSA-N
MW1096.03 g/mol
LogP18.63
Rot. Bonds13

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

4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline (PubChem CID 139321999) has the molecular formula C63H41F12N5 and a molecular weight of 1096.03 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline
PubChem CID139321999
Molecular FormulaC63H41F12N5
Molecular Weight1096.03 g/mol
Exact Mass1095.32
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline
SMILESFC(F)(F)C(c1ccc(-c2nc(-c3ccccc3)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/C63H41F12N5/c64-60(65,66)58(61(67,68)69,47-34-38-53(39-35-47)79(49-18-8-2-9-19-49)50-20-10-3-11-21-50)45-30-26-43(27-31-45)56-76-55(42-16-6-1-7-17-42)77-57(78-56)44-28-32-46(33-29-44)59(62(70,71)72,63(73,74)75)48-36-40-54(41-37-48)80(51-22-12-4-13-23-51)52-24-14-5-15-25-52/h1-41H
InChIKeyMXWJRVPTWZOMBI-UHFFFAOYSA-N
XLogP18.63
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001096.03
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline (CID 139321999) is 4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline is FC(F)(F)C(c1ccc(-c2nc(-c3ccccc3)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-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline?
The InChIKey is MXWJRVPTWZOMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41F12N5/c64-60(65,66)58(61(67,68)69,47-34-38-53(39-35-47)79(49-18-8-2-9-19-49)50-20-10-3-11-21-50)45-30-26-43(27-31-45)56-76-55(42-16-6-1-7-17-42)77-57(78-56)44-28-32-46(33-29-44)59(62(70,71)72,63(73,74)75)48-36-40-54(41-37-48)80(51-22-12-4-13-23-51)52-24-14-5-15-25-52/h1-41H.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline?
4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline has a molecular weight of 1096.03 g/mol, XLogP of 18.63, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]propan-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 139321999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).