4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline

C35H40N2O3Te — CID 133064691

IUPAC4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline
SMILESCOc1ccc(OC2(c3ccc(OC)cc3)[Te]CCCC2(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C35H40N2O3Te/c1-36(2)29-14-8-26(9-15-29)34(27-10-16-30(17-11-27)37(3)4)24-7-25-41-35(34,28-12-18-31(38-5)19-13-28)40-33-22-20-32(39-6)21-23-33/h8-23H,7,24-25H2,1-6H3
InChIKeyZYXHSTZWCJHJBH-UHFFFAOYSA-N
MW664.32 g/mol
LogP6.97
Rot. Bonds9

About 4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline

4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline (PubChem CID 133064691) has the molecular formula C35H40N2O3Te and a molecular weight of 664.32 g/mol. Its IUPAC name is 4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline
PubChem CID133064691
Molecular FormulaC35H40N2O3Te
Molecular Weight664.32 g/mol
Exact Mass666.21
IUPAC Name4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline
SMILESCOc1ccc(OC2(c3ccc(OC)cc3)[Te]CCCC2(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C35H40N2O3Te/c1-36(2)29-14-8-26(9-15-29)34(27-10-16-30(17-11-27)37(3)4)24-7-25-41-35(34,28-12-18-31(38-5)19-13-28)40-33-22-20-32(39-6)21-23-33/h8-23H,7,24-25H2,1-6H3
InChIKeyZYXHSTZWCJHJBH-UHFFFAOYSA-N
XLogP6.97
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.32
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline
CID 171356106
N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline
CID 501370
[4-[[4-(Dimethylamino)phenyl]-[4-[[2-[[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 172450440
Tris-(4'-methoxybiphenyl-4-yl)-amine
CID 59196803
4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[5-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]hexan-3-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 57739002
4-butyl-N-[4-[4-(4-butyl-N-[4-[[4-[5-[4-[[4-(1,2,2-trifluoroethenoxy)phenyl]methoxy]phenyl]heptan-2-yl]phenoxy]methyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 57739008
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
3-(4-fluorophenyl)-5-(4-phenylmethoxyphenyl)-4-(3-phenylpropyl)-2H-1,3-oxazole
CID 91258467
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
4-[4-(1,2-difluoropropoxy)phenyl]-N-[4-[4-[(1R)-1,2-difluoropropoxy]phenyl]phenyl]-N-phenylaniline
CID 147431609
4-[9-[4-(dimethylamino)phenyl]spiro[phenanthrene-10,9'-xanthene]-9-yl]-N,N-dimethylaniline
CID 100914279

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline (CID 133064691) is 4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline is COc1ccc(OC2(c3ccc(OC)cc3)[Te]CCCC2(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline?
The InChIKey is ZYXHSTZWCJHJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N2O3Te/c1-36(2)29-14-8-26(9-15-29)34(27-10-16-30(17-11-27)37(3)4)24-7-25-41-35(34,28-12-18-31(38-5)19-13-28)40-33-22-20-32(39-6)21-23-33/h8-23H,7,24-25H2,1-6H3.
What are the key properties of 4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline?
4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline has a molecular weight of 664.32 g/mol, XLogP of 6.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)-2-(4-methoxyphenyl)telluran-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 133064691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).