4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol

C66H102O2Si3 — CID 159821524

IUPAC4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol
SMILESC.C.C.C.CCC(CC(CC(C)c1ccc(C)cc1)c1ccc(O)cc1)c1ccc([Si](C)(C)C)cc1.CCC(CC(CC(C)c1ccc(C)cc1)c1ccc(O)cc1)c1ccc([Si](C)(C)[Si](C)(C)C)cc1
InChIInChI=1S/C32H46OSi2.C30H40OSi.4CH4/c1-9-26(28-16-20-32(21-17-28)35(7,8)34(4,5)6)23-30(29-14-18-31(33)19-15-29)22-25(3)27-12-10-24(2)11-13-27;1-7-24(26-14-18-30(19-15-26)32(4,5)6)21-28(27-12-16-29(31)17-13-27)20-23(3)25-10-8-22(2)9-11-25;;;;/h10-21,25-26,30,33H,9,22-23H2,1-8H3;8-19,23-24,28,31H,7,20-21H2,1-6H3;4*1H4
InChIKeyNMHKUAVELFDKEE-UHFFFAOYSA-N
MW1011.80 g/mol
LogP19.55
Rot. Bonds19

About 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol

4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol (PubChem CID 159821524) has the molecular formula C66H102O2Si3 and a molecular weight of 1011.80 g/mol. Its IUPAC name is 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol.

Molecular Properties

Compound Name4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol
PubChem CID159821524
Molecular FormulaC66H102O2Si3
Molecular Weight1011.80 g/mol
Exact Mass1010.72
IUPAC Name4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol
SMILESC.C.C.C.CCC(CC(CC(C)c1ccc(C)cc1)c1ccc(O)cc1)c1ccc([Si](C)(C)C)cc1.CCC(CC(CC(C)c1ccc(C)cc1)c1ccc(O)cc1)c1ccc([Si](C)(C)[Si](C)(C)C)cc1
InChIInChI=1S/C32H46OSi2.C30H40OSi.4CH4/c1-9-26(28-16-20-32(21-17-28)35(7,8)34(4,5)6)23-30(29-14-18-31(33)19-15-29)22-25(3)27-12-10-24(2)11-13-27;1-7-24(26-14-18-30(19-15-26)32(4,5)6)21-28(27-12-16-29(31)17-13-27)20-23(3)25-10-8-22(2)9-11-25;;;;/h10-21,25-26,30,33H,9,22-23H2,1-8H3;8-19,23-24,28,31H,7,20-21H2,1-6H3;4*1H4
InChIKeyNMHKUAVELFDKEE-UHFFFAOYSA-N
XLogP19.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.80
LogP ≤ 519.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol 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

4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
CID 634278
Phenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis-
CID 82180
Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-cyclohexyl-5-methyl-
CID 14228559
Jinflexin D
CID 132582283
4,4'''-Dihydroxy-p-quaterphenyl
CID 14817645
4-[2,5,5-Tris(4-hydroxyphenyl)hexan-2-yl]phenol
CID 22041996
2-[[3-[Bis(2-hydroxy-5-methyl-phenyl)methyl]phenyl]-(2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenol
CID 388293
4-(4-Biphenylyl)-2,6-diphenylphenol
CID 4591237
(e)-1-(4-Hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethylidene]adamantane
CID 44400631
4-[(E)-[1-(4-hydroxyphenyl)-2-adamantylidene]methyl]phenol
CID 44400677
4,4'-(1,3-Adamantanediyl)diphenol
CID 4454346
4-[2-(4-Hydroxyphenyl)-2-adamantyl]phenol
CID 433274

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol?
The IUPAC name of 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol (CID 159821524) is 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol.
What is the SMILES notation for 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol?
The canonical SMILES for 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol is C.C.C.C.CCC(CC(CC(C)c1ccc(C)cc1)c1ccc(O)cc1)c1ccc([Si](C)(C)C)cc1.CCC(CC(CC(C)c1ccc(C)cc1)c1ccc(O)cc1)c1ccc([Si](C)(C)[Si](C)(C)C)cc1.
What is the InChIKey of 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol?
The InChIKey is NMHKUAVELFDKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46OSi2.C30H40OSi.4CH4/c1-9-26(28-16-20-32(21-17-28)35(7,8)34(4,5)6)23-30(29-14-18-31(33)19-15-29)22-25(3)27-12-10-24(2)11-13-27;1-7-24(26-14-18-30(19-15-26)32(4,5)6)21-28(27-12-16-29(31)17-13-27)20-23(3)25-10-8-22(2)9-11-25;;;;/h10-21,25-26,30,33H,9,22-23H2,1-8H3;8-19,23-24,28,31H,7,20-21H2,1-6H3;4*1H4.
What are the key properties of 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol?
4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol has a molecular weight of 1011.80 g/mol, XLogP of 19.55, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol is sourced from PubChem (CID 159821524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).