4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol

C27H22OSi — CID 11843653

IUPAC4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
SMILESC[Si](C)(C)C#Cc1ccc(C#Cc2ccc(C#Cc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C27H22OSi/c1-29(2,3)21-20-26-14-12-24(13-15-26)9-8-22-4-6-23(7-5-22)10-11-25-16-18-27(28)19-17-25/h4-7,12-19,28H,1-3H3
InChIKeyDZFNRMPRRBPDKF-UHFFFAOYSA-N
MW390.56 g/mol
LogP5.42
Rot. Bonds

About 4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol

4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol (PubChem CID 11843653) has the molecular formula C27H22OSi and a molecular weight of 390.56 g/mol. Its IUPAC name is 4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol.

Molecular Properties

Compound Name4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
PubChem CID11843653
Molecular FormulaC27H22OSi
Molecular Weight390.56 g/mol
Exact Mass390.14
IUPAC Name4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
SMILESC[Si](C)(C)C#Cc1ccc(C#Cc2ccc(C#Cc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C27H22OSi/c1-29(2,3)21-20-26-14-12-24(13-15-26)9-8-22-4-6-23(7-5-22)10-11-25-16-18-27(28)19-17-25/h4-7,12-19,28H,1-3H3
InChIKeyDZFNRMPRRBPDKF-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-trimethylsilylethynyl)phenol
CID 10750210
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 15312832
2-(4-dimethylsilylphenyl)ethynyl-trimethylsilane
CID 71381536
3-methyl-5-(2-trimethylsilylethynyl)phenol
CID 132839021
trimethyl-[2-(4-propan-2-ylphenyl)ethynyl]silane
CID 23390603
4-(2-chloroethynyl)phenol
CID 71424753
2-chloro-4-(2-trimethylsilylethynyl)phenol
CID 125485376
N-methyl-4-(2-trimethylsilylethynyl)benzamide
CID 68847986
2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid
CID 19957500
4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile
CID 69484722
phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 15849413

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol?
The IUPAC name of 4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol (CID 11843653) is 4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol.
What is the SMILES notation for 4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol?
The canonical SMILES for 4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol is C[Si](C)(C)C#Cc1ccc(C#Cc2ccc(C#Cc3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol?
The InChIKey is DZFNRMPRRBPDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22OSi/c1-29(2,3)21-20-26-14-12-24(13-15-26)9-8-22-4-6-23(7-5-22)10-11-25-16-18-27(28)19-17-25/h4-7,12-19,28H,1-3H3.
What are the key properties of 4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol?
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol has a molecular weight of 390.56 g/mol, XLogP of 5.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol is sourced from PubChem (CID 11843653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).