ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene

C67H76Cl2O6Te — CID 160545608

IUPACethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene
SMILESCC.CC(C)c1ccc(-c2ccccc2)cc1.CC1(OC(=O)COc2ccc([Te](Cl)(Cl)c3ccc(OCC(=O)OC4(C)C5CC6CC(C5)CC4C6)c(-c4ccccc4)c3)cc2-c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C50H54Cl2O6Te.C15H16.C2H6/c1-49(37-19-31-17-32(21-37)22-38(49)20-31)57-47(53)29-55-45-15-13-41(27-43(45)35-9-5-3-6-10-35)59(51,52)42-14-16-46(44(28-42)36-11-7-4-8-12-36)56-30-48(54)58-50(2)39-23-33-18-34(25-39)26-40(50)24-33;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-2/h3-16,27-28,31-34,37-40H,17-26,29-30H2,1-2H3;3-12H,1-2H3;1-2H3
InChIKeyQXJUBVUJZZMCIV-UHFFFAOYSA-N
MW1175.84 g/mol
LogP15.83
Rot. Bonds14

About ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene

ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene (PubChem CID 160545608) has the molecular formula C67H76Cl2O6Te and a molecular weight of 1175.84 g/mol. Its IUPAC name is ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene
PubChem CID160545608
Molecular FormulaC67H76Cl2O6Te
Molecular Weight1175.84 g/mol
Exact Mass1176.41
IUPAC Nameethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene
SMILESCC.CC(C)c1ccc(-c2ccccc2)cc1.CC1(OC(=O)COc2ccc([Te](Cl)(Cl)c3ccc(OCC(=O)OC4(C)C5CC6CC(C5)CC4C6)c(-c4ccccc4)c3)cc2-c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C50H54Cl2O6Te.C15H16.C2H6/c1-49(37-19-31-17-32(21-37)22-38(49)20-31)57-47(53)29-55-45-15-13-41(27-43(45)35-9-5-3-6-10-35)59(51,52)42-14-16-46(44(28-42)36-11-7-4-8-12-36)56-30-48(54)58-50(2)39-23-33-18-34(25-39)26-40(50)24-33;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-2/h3-16,27-28,31-34,37-40H,17-26,29-30H2,1-2H3;3-12H,1-2H3;1-2H3
InChIKeyQXJUBVUJZZMCIV-UHFFFAOYSA-N
XLogP15.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.84
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]phenoxy]acetate
CID 154612816
anthracene;bis(4-[dichloro(methyl)-λ4-tellanyl]phenol);bis(4-[dichloro-(4-phenylphenyl)-λ4-tellanyl]phenol);ethane;methane;methanol;bis((2-methyl-2-adamantyl) 2-[4-[dichloro(methyl)-λ4-tellanyl]phenoxy]acetate);bis((2-methyl-2-adamantyl) 2-[4-[dichloro-(4-phenylphenyl)-λ4-tellanyl]phenoxy]acetate);tetrakis((2-methyl-2-adamantyl) 2-methoxyacetate)
CID 161251720
[4-[[3-iodo-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]methoxy]phenyl]-diphenylsulfanium
CID 166021497
tert-butyl [4-[dichloro-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-λ4-tellanyl]phenyl] carbonate;ethane;1-phenyl-4-propan-2-ylbenzene
CID 162219986
(2-methyl-2-adamantyl) 2-(4-ethenylphenoxy)acetate
CID 59227049
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate
CID 8546814
(2-methyl-2-adamantyl) 2-[2,6-dimethyl-4-[3-methyl-2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-5-[3-methyl-2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-5-sulfanylphenyl]phenyl]phenoxy]acetate
CID 88896616
(2-methyl-2-adamantyl) 2-[4-(thian-1-ium-1-yl)phenoxy]acetate
CID 153282788
[4-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethoxy]phenyl]-diphenylsulfanium
CID 59602482
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-phenylphenoxy)acetamide
CID 7948811
[3-[2-[5-hydroxy-2-methyl-4-[1-(4-propan-2-ylphenyl)propyl]phenoxy]acetyl]oxy-1-adamantyl] 2-[5-hydroxy-2-methyl-4-[1-(4-propan-2-ylphenyl)propyl]phenoxy]acetate
CID 126628313

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene?
The IUPAC name of ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene (CID 160545608) is ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene?
The canonical SMILES for ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene is CC.CC(C)c1ccc(-c2ccccc2)cc1.CC1(OC(=O)COc2ccc([Te](Cl)(Cl)c3ccc(OCC(=O)OC4(C)C5CC6CC(C5)CC4C6)c(-c4ccccc4)c3)cc2-c2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene?
The InChIKey is QXJUBVUJZZMCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54Cl2O6Te.C15H16.C2H6/c1-49(37-19-31-17-32(21-37)22-38(49)20-31)57-47(53)29-55-45-15-13-41(27-43(45)35-9-5-3-6-10-35)59(51,52)42-14-16-46(44(28-42)36-11-7-4-8-12-36)56-30-48(54)58-50(2)39-23-33-18-34(25-39)26-40(50)24-33;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-2/h3-16,27-28,31-34,37-40H,17-26,29-30H2,1-2H3;3-12H,1-2H3;1-2H3.
What are the key properties of ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene?
ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene has a molecular weight of 1175.84 g/mol, XLogP of 15.83, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methyl-2-adamantyl) 2-[4-[dichloro-[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-3-phenylphenyl]-λ4-tellanyl]-2-phenylphenoxy]acetate;1-phenyl-4-propan-2-ylbenzene is sourced from PubChem (CID 160545608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).