4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline

C107H126N6O9Te6 — CID 101252881

IUPAC4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([Te]CCCOc2cc(COc3ccc(C(C)(c4ccc(OCc5cc(OCCC[Te]c6ccc(N(C)C)cc6)cc(OCCC[Te]c6ccc(N(C)C)cc6)c5)cc4)c4ccc(OCc5cc(OCCC[Te]c6ccc(N(C)C)cc6)cc(OCCC[Te]c6ccc(N(C)C)cc6)c5)cc4)cc3)cc(OCCC[Te]c3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C107H126N6O9Te6/c1-107(83-20-38-92(39-21-83)120-77-80-68-95(114-56-14-62-123-101-44-26-86(27-45-101)108(2)3)74-96(69-80)115-57-15-63-124-102-46-28-87(29-47-102)109(4)5,84-22-40-93(41-23-84)121-78-81-70-97(116-58-16-64-125-103-48-30-88(31-49-103)110(6)7)75-98(71-81)117-59-17-65-126-104-50-32-89(33-51-104)111(8)9)85-24-42-94(43-25-85)122-79-82-72-99(118-60-18-66-127-105-52-34-90(35-53-105)112(10)11)76-100(73-82)119-61-19-67-128-106-54-36-91(37-55-106)113(12)13/h20-55,68-76H,14-19,56-67,77-79H2,1-13H3
InChIKeyHTPNWNCLOLYHCT-UHFFFAOYSA-N
MW2405.82 g/mol
LogP17.48
Rot. Bonds54

About 4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline

4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline (PubChem CID 101252881) has the molecular formula C107H126N6O9Te6 and a molecular weight of 2405.82 g/mol. Its IUPAC name is 4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline
PubChem CID101252881
Molecular FormulaC107H126N6O9Te6
Molecular Weight2405.82 g/mol
Exact Mass2418.40
IUPAC Name4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([Te]CCCOc2cc(COc3ccc(C(C)(c4ccc(OCc5cc(OCCC[Te]c6ccc(N(C)C)cc6)cc(OCCC[Te]c6ccc(N(C)C)cc6)c5)cc4)c4ccc(OCc5cc(OCCC[Te]c6ccc(N(C)C)cc6)cc(OCCC[Te]c6ccc(N(C)C)cc6)c5)cc4)cc3)cc(OCCC[Te]c3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C107H126N6O9Te6/c1-107(83-20-38-92(39-21-83)120-77-80-68-95(114-56-14-62-123-101-44-26-86(27-45-101)108(2)3)74-96(69-80)115-57-15-63-124-102-46-28-87(29-47-102)109(4)5,84-22-40-93(41-23-84)121-78-81-70-97(116-58-16-64-125-103-48-30-88(31-49-103)110(6)7)75-98(71-81)117-59-17-65-126-104-50-32-89(33-51-104)111(8)9)85-24-42-94(43-25-85)122-79-82-72-99(118-60-18-66-127-105-52-34-90(35-53-105)112(10)11)76-100(73-82)119-61-19-67-128-106-54-36-91(37-55-106)113(12)13/h20-55,68-76H,14-19,56-67,77-79H2,1-13H3
InChIKeyHTPNWNCLOLYHCT-UHFFFAOYSA-N
XLogP17.48
TPSA102.51 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds54
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002405.82
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline with MolForge

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Related Compounds

[3,5-Bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol
CID 87478810
Bis(2',4'-bis(hexyloxy)biphenyl-4-yl)amine
CID 89985701
N-[4-[4-(N-[4-[4-[4-[6-ethyl-2-[4-[[4-[1,2,2,3,4,4-hexafluoro-3-[4-[[4-[2,2,7,7-tetramethyl-5-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]octan-3-yl]phenoxy]methyl]phenoxy]cyclobutyl]oxyphenyl]methoxy]phenyl]-6,7-dimethyloct-7-en-4-yl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 124017159
N-benzyl-N-methylprop-2-yn-1-amine;1-butyl-4-ethynylbenzene;1-tert-butyl-4-ethynylbenzene;but-3-ynylbenzene;4-ethynyl-1,2-difluorobenzene;1-ethynyl-3,5-dimethoxybenzene;4-ethynyl-N,N-dimethylaniline;1-ethynyl-4-(trifluoromethoxy)benzene;prop-2-ynoxybenzene
CID 157578400
1,3-Bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-(4-methylphenyl)-4-[3-[1-(4-methylphenyl)piperidin-4-yl]propyl]piperidine;1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 161623598
Di(4 dimethylaminophenyl)(4 methoxy phenyl)(4 methoxyphenoxy)tellurane
CID 133064691
Isoquinoline, 1,2-dihydro-7-benzyloxy-6-methoxy-2-phenyl-1-(3,5-dibenzyloxybenylidene)-
CID 5368288
3,5-Bis[(3,5-dimethoxyphenyl)methoxy]-1-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 17909804
N-(4-ethoxyphenyl)-N,1-bis[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 18174149
N-(4-ethoxyphenyl)-N,1-bis[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine
CID 18174150
N-(4-butoxyphenyl)-N,1-bis[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 18174200
N-(4-butoxyphenyl)-N,1-bis[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine
CID 18174201

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline (CID 101252881) is 4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline is CN(C)c1ccc([Te]CCCOc2cc(COc3ccc(C(C)(c4ccc(OCc5cc(OCCC[Te]c6ccc(N(C)C)cc6)cc(OCCC[Te]c6ccc(N(C)C)cc6)c5)cc4)c4ccc(OCc5cc(OCCC[Te]c6ccc(N(C)C)cc6)cc(OCCC[Te]c6ccc(N(C)C)cc6)c5)cc4)cc3)cc(OCCC[Te]c3ccc(N(C)C)cc3)c2)cc1.
What is the InChIKey of 4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline?
The InChIKey is HTPNWNCLOLYHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H126N6O9Te6/c1-107(83-20-38-92(39-21-83)120-77-80-68-95(114-56-14-62-123-101-44-26-86(27-45-101)108(2)3)74-96(69-80)115-57-15-63-124-102-46-28-87(29-47-102)109(4)5,84-22-40-93(41-23-84)121-78-81-70-97(116-58-16-64-125-103-48-30-88(31-49-103)110(6)7)75-98(71-81)117-59-17-65-126-104-50-32-89(33-51-104)111(8)9)85-24-42-94(43-25-85)122-79-82-72-99(118-60-18-66-127-105-52-34-90(35-53-105)112(10)11)76-100(73-82)119-61-19-67-128-106-54-36-91(37-55-106)113(12)13/h20-55,68-76H,14-19,56-67,77-79H2,1-13H3.
What are the key properties of 4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline?
4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline has a molecular weight of 2405.82 g/mol, XLogP of 17.48, 54 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[[4-[1,1-bis[4-[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]ethyl]phenoxy]methyl]-5-[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenoxy]propyltellanyl]-N,N-dimethylaniline is sourced from PubChem (CID 101252881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).