4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

C84H95F3N2O3 — CID 89319271

IUPAC4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(CCCC)cc4)c4ccc(COc5ccc(C(CC(C)(C)C(C)(C)C(CC(C)(C)C)c6ccc(OCc7ccc(OC(F)=C(F)F)cc7)cc6)C(C)(C)C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C84H95F3N2O3/c1-13-15-20-60-24-40-69(41-25-60)88(68-22-18-17-19-23-68)72-46-32-64(33-47-72)65-34-48-73(49-35-65)89(70-42-26-61(27-43-70)21-16-14-2)71-44-28-62(29-45-71)58-90-74-52-36-66(37-53-74)77(82(6,7)8)57-83(9,10)84(11,12)78(56-81(3,4)5)67-38-54-75(55-39-67)91-59-63-30-50-76(51-31-63)92-80(87)79(85)86/h17-19,22-55,77-78H,13-16,20-21,56-59H2,1-12H3
InChIKeyBCVDJXXEWZLGDR-UHFFFAOYSA-N
MW1237.69 g/mol
LogP25.34
Rot. Bonds28

About 4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 89319271) has the molecular formula C84H95F3N2O3 and a molecular weight of 1237.69 g/mol. Its IUPAC name is 4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID89319271
Molecular FormulaC84H95F3N2O3
Molecular Weight1237.69 g/mol
Exact Mass1236.73
IUPAC Name4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(CCCC)cc4)c4ccc(COc5ccc(C(CC(C)(C)C(C)(C)C(CC(C)(C)C)c6ccc(OCc7ccc(OC(F)=C(F)F)cc7)cc6)C(C)(C)C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C84H95F3N2O3/c1-13-15-20-60-24-40-69(41-25-60)88(68-22-18-17-19-23-68)72-46-32-64(33-47-72)65-34-48-73(49-35-65)89(70-42-26-61(27-43-70)21-16-14-2)71-44-28-62(29-45-71)58-90-74-52-36-66(37-53-74)77(82(6,7)8)57-83(9,10)84(11,12)78(56-81(3,4)5)67-38-54-75(55-39-67)91-59-63-30-50-76(51-31-63)92-80(87)79(85)86/h17-19,22-55,77-78H,13-16,20-21,56-59H2,1-12H3
InChIKeyBCVDJXXEWZLGDR-UHFFFAOYSA-N
XLogP25.34
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.69
LogP ≤ 525.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (CID 89319271) is 4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is CCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(CCCC)cc4)c4ccc(COc5ccc(C(CC(C)(C)C(C)(C)C(CC(C)(C)C)c6ccc(OCc7ccc(OC(F)=C(F)F)cc7)cc6)C(C)(C)C)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is BCVDJXXEWZLGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H95F3N2O3/c1-13-15-20-60-24-40-69(41-25-60)88(68-22-18-17-19-23-68)72-46-32-64(33-47-72)65-34-48-73(49-35-65)89(70-42-26-61(27-43-70)21-16-14-2)71-44-28-62(29-45-71)58-90-74-52-36-66(37-53-74)77(82(6,7)8)57-83(9,10)84(11,12)78(56-81(3,4)5)67-38-54-75(55-39-67)91-59-63-30-50-76(51-31-63)92-80(87)79(85)86/h17-19,22-55,77-78H,13-16,20-21,56-59H2,1-12H3.
What are the key properties of 4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 1237.69 g/mol, XLogP of 25.34, 28 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[2,2,5,5,6,6,9,9-octamethyl-7-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]decan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 89319271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).