bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane

C36H28O2Si — CID 101413036

IUPACbis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane
SMILESCOc1ccc(C#Cc2ccc(C#C[Si](C)(C)C#Cc3ccc(C#Cc4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H28O2Si/c1-37-35-21-17-31(18-22-35)7-5-29-9-13-33(14-10-29)25-27-39(3,4)28-26-34-15-11-30(12-16-34)6-8-32-19-23-36(38-2)24-20-32/h9-24H,1-4H3
InChIKeyRLIPCXDCEXJTEE-UHFFFAOYSA-N
MW520.70 g/mol
LogP6.69
Rot. Bonds2

About bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane

bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane (PubChem CID 101413036) has the molecular formula C36H28O2Si and a molecular weight of 520.70 g/mol. Its IUPAC name is bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane.

Molecular Properties

Compound Namebis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane
PubChem CID101413036
Molecular FormulaC36H28O2Si
Molecular Weight520.70 g/mol
Exact Mass520.19
IUPAC Namebis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane
SMILESCOc1ccc(C#Cc2ccc(C#C[Si](C)(C)C#Cc3ccc(C#Cc4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H28O2Si/c1-37-35-21-17-31(18-22-35)7-5-29-9-13-33(14-10-29)25-27-39(3,4)28-26-34-15-11-30(12-16-34)6-8-32-19-23-36(38-2)24-20-32/h9-24H,1-4H3
InChIKeyRLIPCXDCEXJTEE-UHFFFAOYSA-N
XLogP6.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.70
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-methoxyphenyl)ethynyl]pyridine
CID 4595253
2-(4-methoxyphenyl)ethynyl-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-dimethylsilane
CID 102153351
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405
(1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene
CID 101073094
1-[3,5-bis[2-(4-methoxyphenyl)ethynyl]phenyl]-3,5-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 102282889
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
1,3-bis[2-(4-methoxyphenyl)ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene
CID 159712013
N-(4-methoxyphenyl)-N-[4-[2-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]ethynyl]phenyl]-4-methylaniline
CID 18996688
4-[N-(4-cyanophenyl)-4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethynyl]anilino]benzonitrile
CID 11039418
4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethynyl]benzenethiol
CID 102296106
5-(4-methoxyphenyl)penta-1,2-dien-4-yn-3-yl-trimethylsilane
CID 102159100
2-methoxy-5-[2-(4-methoxyphenyl)ethynyl]cyclohepta-2,4,6-trien-1-one
CID 102256695

Frequently Asked Questions

What is the IUPAC name of bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane?
The IUPAC name of bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane (CID 101413036) is bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane.
What is the SMILES notation for bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane?
The canonical SMILES for bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane is COc1ccc(C#Cc2ccc(C#C[Si](C)(C)C#Cc3ccc(C#Cc4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane?
The InChIKey is RLIPCXDCEXJTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28O2Si/c1-37-35-21-17-31(18-22-35)7-5-29-9-13-33(14-10-29)25-27-39(3,4)28-26-34-15-11-30(12-16-34)6-8-32-19-23-36(38-2)24-20-32/h9-24H,1-4H3.
What are the key properties of bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane?
bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane has a molecular weight of 520.70 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane is sourced from PubChem (CID 101413036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).