4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline

C43H44F6N2O2 — CID 139753032

IUPAC4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline
SMILESC=C(C)CN(CC(=C)C)c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N(CC(=C)C)CC(=C)C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C43H44F6N2O2/c1-29(2)25-50(26-30(3)4)35-13-21-39(22-14-35)52-37-17-9-33(10-18-37)41(42(44,45)46,43(47,48)49)34-11-19-38(20-12-34)53-40-23-15-36(16-24-40)51(27-31(5)6)28-32(7)8/h9-24H,1,3,5,7,25-28H2,2,4,6,8H3
InChIKeyCEYJQMVVQFHYKS-UHFFFAOYSA-N
MW734.82 g/mol
LogP12.60
Rot. Bonds16

About 4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline

4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline (PubChem CID 139753032) has the molecular formula C43H44F6N2O2 and a molecular weight of 734.82 g/mol. Its IUPAC name is 4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline.

Molecular Properties

Compound Name4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline
PubChem CID139753032
Molecular FormulaC43H44F6N2O2
Molecular Weight734.82 g/mol
Exact Mass734.33
IUPAC Name4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline
SMILESC=C(C)CN(CC(=C)C)c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N(CC(=C)C)CC(=C)C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C43H44F6N2O2/c1-29(2)25-50(26-30(3)4)35-13-21-39(22-14-35)52-37-17-9-33(10-18-37)41(42(44,45)46,43(47,48)49)34-11-19-38(20-12-34)53-40-23-15-36(16-24-40)51(27-31(5)6)28-32(7)8/h9-24H,1,3,5,7,25-28H2,2,4,6,8H3
InChIKeyCEYJQMVVQFHYKS-UHFFFAOYSA-N
XLogP12.60
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.82
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline with MolForge

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Related Compounds

4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline
CID 83119
Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-
CID 94652
4{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(3''-trifluoromethylphenyl)piperazine
CID 25156966
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-(4-Fluoro-phenyl)-4-[3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-piperazine
CID 10623740
4-(3-(4-(N-methylacetamido)phenyl)pentan-3-yl)phenyl dibenzylcarbamate
CID 24180522
4-[[4-(dimethylamino)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]-N,N-dimethylaniline
CID 2825080
4-[[4-(difluoromethoxy)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 2825081
1-(4-Methoxyphenyl)-4-(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)piperazine
CID 10648046
1-(3-(Biphenyl-4-yl)-3-(4-(trifluoromethyl)phenoxy)propyl)-4-(2-methoxyphenyl)piperazine
CID 10674136

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline?
The IUPAC name of 4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline (CID 139753032) is 4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline.
What is the SMILES notation for 4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline?
The canonical SMILES for 4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline is C=C(C)CN(CC(=C)C)c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N(CC(=C)C)CC(=C)C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline?
The InChIKey is CEYJQMVVQFHYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44F6N2O2/c1-29(2)25-50(26-30(3)4)35-13-21-39(22-14-35)52-37-17-9-33(10-18-37)41(42(44,45)46,43(47,48)49)34-11-19-38(20-12-34)53-40-23-15-36(16-24-40)51(27-31(5)6)28-32(7)8/h9-24H,1,3,5,7,25-28H2,2,4,6,8H3.
What are the key properties of 4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline?
4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline has a molecular weight of 734.82 g/mol, XLogP of 12.60, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-[4-[bis(2-methylprop-2-enyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-N,N-bis(2-methylprop-2-enyl)aniline is sourced from PubChem (CID 139753032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).