trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane

C36H34Si2 — CID 164676030

IUPACtrimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cc2cccccc-2c1-c1cccc(C#C[Si](C)(C)C)c1-c1cccc2ccccc12
InChIInChI=1S/C36H34Si2/c1-37(2,3)24-22-28-17-13-21-34(35(28)33-20-12-16-27-14-10-11-18-31(27)33)36-30(23-25-38(4,5)6)26-29-15-8-7-9-19-32(29)36/h7-21,26H,1-6H3
InChIKeyNVTKOQVHRIUEKS-UHFFFAOYSA-N
MW522.84 g/mol
LogP9.74
Rot. Bonds2

About trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane

trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane (PubChem CID 164676030) has the molecular formula C36H34Si2 and a molecular weight of 522.84 g/mol. Its IUPAC name is trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane
PubChem CID164676030
Molecular FormulaC36H34Si2
Molecular Weight522.84 g/mol
Exact Mass522.22
IUPAC Nametrimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cc2cccccc-2c1-c1cccc(C#C[Si](C)(C)C)c1-c1cccc2ccccc12
InChIInChI=1S/C36H34Si2/c1-37(2,3)24-22-28-17-13-21-34(35(28)33-20-12-16-27-14-10-11-18-31(27)33)36-30(23-25-38(4,5)6)26-29-15-8-7-9-19-32(29)36/h7-21,26H,1-6H3
InChIKeyNVTKOQVHRIUEKS-UHFFFAOYSA-N
XLogP9.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.84
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

trimethyl(2-pentacen-1-ylethynyl)silane
CID 141150264
trimethyl-[2-[10-(2-trimethylsilylethynyl)fluoranthen-7-yl]ethynyl]silane
CID 10949276
dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane
CID 102396235
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane
CID 139256605
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
2,3,6,7-tetrakis(2-naphthalen-1-ylethynyl)naphthalene
CID 177465758
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane (CID 164676030) is trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane is C[Si](C)(C)C#Cc1cc2cccccc-2c1-c1cccc(C#C[Si](C)(C)C)c1-c1cccc2ccccc12.
What is the InChIKey of trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane?
The InChIKey is NVTKOQVHRIUEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34Si2/c1-37(2,3)24-22-28-17-13-21-34(35(28)33-20-12-16-27-14-10-11-18-31(27)33)36-30(23-25-38(4,5)6)26-29-15-8-7-9-19-32(29)36/h7-21,26H,1-6H3.
What are the key properties of trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane?
trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane has a molecular weight of 522.84 g/mol, XLogP of 9.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane is sourced from PubChem (CID 164676030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).