N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline

C55H44F6N2O6 — CID 139670221

IUPACN-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C55H44F6N2O6/c1-64-45-25-9-39(10-26-45)62(40-11-27-46(65-2)28-12-40)43-17-33-51(34-18-43)68-49-21-5-37(6-22-49)53(54(56,57)58,55(59,60)61)38-7-23-50(24-8-38)69-52-35-19-44(20-36-52)63(41-13-29-47(66-3)30-14-41)42-15-31-48(67-4)32-16-42/h5-36H,1-4H3
InChIKeyXLWQUMJWSNITFZ-UHFFFAOYSA-N
MW942.95 g/mol
LogP15.66
Rot. Bonds16

About N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline

N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline (PubChem CID 139670221) has the molecular formula C55H44F6N2O6 and a molecular weight of 942.95 g/mol. Its IUPAC name is N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline
PubChem CID139670221
Molecular FormulaC55H44F6N2O6
Molecular Weight942.95 g/mol
Exact Mass942.31
IUPAC NameN-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C55H44F6N2O6/c1-64-45-25-9-39(10-26-45)62(40-11-27-46(65-2)28-12-40)43-17-33-51(34-18-43)68-49-21-5-37(6-22-49)53(54(56,57)58,55(59,60)61)38-7-23-50(24-8-38)69-52-35-19-44(20-36-52)63(41-13-29-47(66-3)30-14-41)42-15-31-48(67-4)32-16-42/h5-36H,1-4H3
InChIKeyXLWQUMJWSNITFZ-UHFFFAOYSA-N
XLogP15.66
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.95
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-
CID 94652
1H-Pyrrole-2,5-dione, 1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy-4,1-phenylene)]bis-
CID 3086113
N,N'-[(diphenylmethanediyl)bis(benzene-4,1-diyloxybenzene-4,1-diyl)]diacetamide
CID 3092398
2,2,2-trifluoro-N-(4-{3-[1-methyl-1-(4-{4-[(trifluoroacetyl)amino]phenoxy}phenyl)ethyl]phenoxy}phenyl)acetamide
CID 9511051
(1,1'-Biphenyl)-4,4'-diamine, N4,N4,N4',N4'-tetrakis(4-methoxyphenyl)-
CID 23069933
N-{4-[4-(1-{4-[4-(acetylamino)phenoxy]phenyl}-2,2,2-trifluoro-1-(trifluorometh yl)ethyl)phenoxy]phenyl}acetamide
CID 3501923
N,N'-Bis(2-methyl-4-methoxyphenyl)-N,N'-diphenylbenzidine
CID 23517938
2,2-Bis[4-(4-nitrophenoxy)phenyl]hexafluoropropane
CID 2736051
1,1'-((2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(4,1-phenyleneoxy-4,1-phenylene))bis(1H-pyrrole-2,5-dione)
CID 10941443
2,2-Bis[4-(4-amino-2-trifluoromethylphenoxy)phenyl]hexafluoropropane
CID 11388190
2,2-Bis[4-(4-amino-2-trifluoromethylphenoxy)phenyl]propane
CID 18793568
1,1-Bis[4-(4-aminophenoxy)phenyl]-1-phenyl-2,2,2-trifluoroethane
CID 19883794

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline?
The IUPAC name of N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline (CID 139670221) is N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline?
The canonical SMILES for N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline?
The InChIKey is XLWQUMJWSNITFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44F6N2O6/c1-64-45-25-9-39(10-26-45)62(40-11-27-46(65-2)28-12-40)43-17-33-51(34-18-43)68-49-21-5-37(6-22-49)53(54(56,57)58,55(59,60)61)38-7-23-50(24-8-38)69-52-35-19-44(20-36-52)63(41-13-29-47(66-3)30-14-41)42-15-31-48(67-4)32-16-42/h5-36H,1-4H3.
What are the key properties of N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline?
N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline has a molecular weight of 942.95 g/mol, XLogP of 15.66, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-methoxy-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 139670221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).