trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane

C33H32Si2 — CID 59775484

IUPACtrimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
SMILESCc1cccc2cc3c(C#C[Si](C)(C)C)c4cc5ccccc5cc4c(C#C[Si](C)(C)C)c3cc12
InChIInChI=1S/C33H32Si2/c1-23-11-10-14-26-21-32-27(15-17-34(2,3)4)30-19-24-12-8-9-13-25(24)20-31(30)28(16-18-35(5,6)7)33(32)22-29(23)26/h8-14,19-22H,1-7H3
InChIKeyVWSBVPAUTLOWAR-UHFFFAOYSA-N
MW484.79 g/mol
LogP9.07
Rot. Bonds

About trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane

trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane (PubChem CID 59775484) has the molecular formula C33H32Si2 and a molecular weight of 484.79 g/mol. Its IUPAC name is trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
PubChem CID59775484
Molecular FormulaC33H32Si2
Molecular Weight484.79 g/mol
Exact Mass484.20
IUPAC Nametrimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
SMILESCc1cccc2cc3c(C#C[Si](C)(C)C)c4cc5ccccc5cc4c(C#C[Si](C)(C)C)c3cc12
InChIInChI=1S/C33H32Si2/c1-23-11-10-14-26-21-32-27(15-17-34(2,3)4)30-19-24-12-8-9-13-25(24)20-31(30)28(16-18-35(5,6)7)33(32)22-29(23)26/h8-14,19-22H,1-7H3
InChIKeyVWSBVPAUTLOWAR-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.79
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane (CID 59775484) is trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane is Cc1cccc2cc3c(C#C[Si](C)(C)C)c4cc5ccccc5cc4c(C#C[Si](C)(C)C)c3cc12.
What is the InChIKey of trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
The InChIKey is VWSBVPAUTLOWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32Si2/c1-23-11-10-14-26-21-32-27(15-17-34(2,3)4)30-19-24-12-8-9-13-25(24)20-31(30)28(16-18-35(5,6)7)33(32)22-29(23)26/h8-14,19-22H,1-7H3.
What are the key properties of trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane?
trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane has a molecular weight of 484.79 g/mol, XLogP of 9.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane is sourced from PubChem (CID 59775484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).