[3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol

C65H80N4O7Te4 — CID 87478810

IUPAC[3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol
SMILESCN(C)c1ccc([Te]CCCOc2cc(COc3cc(CO)cc(OCc4cc(OCCC[Te]c5ccc(N(C)C)cc5)cc(OCCC[Te]c5ccc(N(C)C)cc5)c4)c3)cc(OCCC[Te]c3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C65H80N4O7Te4/c1-66(2)52-13-21-62(22-14-52)77-33-9-29-71-56-39-50(40-57(43-56)72-30-10-34-78-63-23-15-53(16-24-63)67(3)4)47-75-60-37-49(46-70)38-61(45-60)76-48-51-41-58(73-31-11-35-79-64-25-17-54(18-26-64)68(5)6)44-59(42-51)74-32-12-36-80-65-27-19-55(20-28-65)69(7)8/h13-28,37-45,70H,9-12,29-36,46-48H2,1-8H3
InChIKeyNYAYERIFRJHVOW-UHFFFAOYSA-N
MW1539.78 g/mol
LogP9.47
Rot. Bonds35

About [3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol

[3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol (PubChem CID 87478810) has the molecular formula C65H80N4O7Te4 and a molecular weight of 1539.78 g/mol. Its IUPAC name is [3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol
PubChem CID87478810
Molecular FormulaC65H80N4O7Te4
Molecular Weight1539.78 g/mol
Exact Mass1548.23
IUPAC Name[3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol
SMILESCN(C)c1ccc([Te]CCCOc2cc(COc3cc(CO)cc(OCc4cc(OCCC[Te]c5ccc(N(C)C)cc5)cc(OCCC[Te]c5ccc(N(C)C)cc5)c4)c3)cc(OCCC[Te]c3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C65H80N4O7Te4/c1-66(2)52-13-21-62(22-14-52)77-33-9-29-71-56-39-50(40-57(43-56)72-30-10-34-78-63-23-15-53(16-24-63)67(3)4)47-75-60-37-49(46-70)38-61(45-60)76-48-51-41-58(73-31-11-35-79-64-25-17-54(18-26-64)68(5)6)44-59(42-51)74-32-12-36-80-65-27-19-55(20-28-65)69(7)8/h13-28,37-45,70H,9-12,29-36,46-48H2,1-8H3
InChIKeyNYAYERIFRJHVOW-UHFFFAOYSA-N
XLogP9.47
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds35
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001539.78
LogP ≤ 59.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol?
The IUPAC name of [3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol (CID 87478810) is [3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol is CN(C)c1ccc([Te]CCCOc2cc(COc3cc(CO)cc(OCc4cc(OCCC[Te]c5ccc(N(C)C)cc5)cc(OCCC[Te]c5ccc(N(C)C)cc5)c4)c3)cc(OCCC[Te]c3ccc(N(C)C)cc3)c2)cc1.
What is the InChIKey of [3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol?
The InChIKey is NYAYERIFRJHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H80N4O7Te4/c1-66(2)52-13-21-62(22-14-52)77-33-9-29-71-56-39-50(40-57(43-56)72-30-10-34-78-63-23-15-53(16-24-63)67(3)4)47-75-60-37-49(46-70)38-61(45-60)76-48-51-41-58(73-31-11-35-79-64-25-17-54(18-26-64)68(5)6)44-59(42-51)74-32-12-36-80-65-27-19-55(20-28-65)69(7)8/h13-28,37-45,70H,9-12,29-36,46-48H2,1-8H3.
What are the key properties of [3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol?
[3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol has a molecular weight of 1539.78 g/mol, XLogP of 9.47, 35 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[[3,5-bis[3-[4-(dimethylamino)phenyl]tellanylpropoxy]phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 87478810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).