4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline

C75H50F24N2 — CID 20679793

IUPAC4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline
SMILESCC(C)(c1ccc(N(c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)cc1)c1ccc(N(c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C75H50F24N2/c1-63(2,47-23-35-57(36-24-47)100(59-39-27-53(28-40-59)64(68(76,77)78,69(79,80)81)49-15-7-3-8-16-49)60-41-29-54(30-42-60)65(70(82,83)84,71(85,86)87)50-17-9-4-10-18-50)48-25-37-58(38-26-48)101(61-43-31-55(32-44-61)66(72(88,89)90,73(91,92)93)51-19-11-5-12-20-51)62-45-33-56(34-46-62)67(74(94,95)96,75(97,98)99)52-21-13-6-14-22-52/h3-46H,1-2H3
InChIKeyAPDSNKVAPKANGS-UHFFFAOYSA-N
MW1435.19 g/mol
LogP24.59
Rot. Bonds16

About 4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline

4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline (PubChem CID 20679793) has the molecular formula C75H50F24N2 and a molecular weight of 1435.19 g/mol. Its IUPAC name is 4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline
PubChem CID20679793
Molecular FormulaC75H50F24N2
Molecular Weight1435.19 g/mol
Exact Mass1434.36
IUPAC Name4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline
SMILESCC(C)(c1ccc(N(c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)cc1)c1ccc(N(c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C75H50F24N2/c1-63(2,47-23-35-57(36-24-47)100(59-39-27-53(28-40-59)64(68(76,77)78,69(79,80)81)49-15-7-3-8-16-49)60-41-29-54(30-42-60)65(70(82,83)84,71(85,86)87)50-17-9-4-10-18-50)48-25-37-58(38-26-48)101(61-43-31-55(32-44-61)66(72(88,89)90,73(91,92)93)51-19-11-5-12-20-51)62-45-33-56(34-46-62)67(74(94,95)96,75(97,98)99)52-21-13-6-14-22-52/h3-46H,1-2H3
InChIKeyAPDSNKVAPKANGS-UHFFFAOYSA-N
XLogP24.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001435.19
LogP ≤ 524.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline?
The IUPAC name of 4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline (CID 20679793) is 4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline.
What is the SMILES notation for 4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline?
The canonical SMILES for 4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline is CC(C)(c1ccc(N(c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)cc1)c1ccc(N(c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline?
The InChIKey is APDSNKVAPKANGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50F24N2/c1-63(2,47-23-35-57(36-24-47)100(59-39-27-53(28-40-59)64(68(76,77)78,69(79,80)81)49-15-7-3-8-16-49)60-41-29-54(30-42-60)65(70(82,83)84,71(85,86)87)50-17-9-4-10-18-50)48-25-37-58(38-26-48)101(61-43-31-55(32-44-61)66(72(88,89)90,73(91,92)93)51-19-11-5-12-20-51)62-45-33-56(34-46-62)67(74(94,95)96,75(97,98)99)52-21-13-6-14-22-52/h3-46H,1-2H3.
What are the key properties of 4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline?
4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline has a molecular weight of 1435.19 g/mol, XLogP of 24.59, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]anilino]phenyl]propan-2-yl]-N,N-bis[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]aniline is sourced from PubChem (CID 20679793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).