trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane

C34H46Si4 — CID 86031741

IUPACtrimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane
SMILESC[Si](C)(C)c1cc2cc3cc4cc5cc([Si](C)(C)C)c([Si](C)(C)C)cc5cc4cc3cc2cc1[Si](C)(C)C
InChIInChI=1S/C34H46Si4/c1-35(2,3)31-19-27-15-23-13-25-17-29-21-33(37(7,8)9)34(38(10,11)12)22-30(29)18-26(25)14-24(23)16-28(27)20-32(31)36(4,5)6/h13-22H,1-12H3
InChIKeyZLNIGUGKLVGLNW-UHFFFAOYSA-N
MW567.09 g/mol
LogP8.48
Rot. Bonds4

About trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane

trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane (PubChem CID 86031741) has the molecular formula C34H46Si4 and a molecular weight of 567.09 g/mol. Its IUPAC name is trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane
PubChem CID86031741
Molecular FormulaC34H46Si4
Molecular Weight567.09 g/mol
Exact Mass566.27
IUPAC Nametrimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane
SMILESC[Si](C)(C)c1cc2cc3cc4cc5cc([Si](C)(C)C)c([Si](C)(C)C)cc5cc4cc3cc2cc1[Si](C)(C)C
InChIInChI=1S/C34H46Si4/c1-35(2,3)31-19-27-15-23-13-25-17-29-21-33(37(7,8)9)34(38(10,11)12)22-30(29)18-26(25)14-24(23)16-28(27)20-32(31)36(4,5)6/h13-22H,1-12H3
InChIKeyZLNIGUGKLVGLNW-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.09
LogP ≤ 58.48
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane?
The IUPAC name of trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane (CID 86031741) is trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane.
What is the SMILES notation for trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane?
The canonical SMILES for trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane is C[Si](C)(C)c1cc2cc3cc4cc5cc([Si](C)(C)C)c([Si](C)(C)C)cc5cc4cc3cc2cc1[Si](C)(C)C.
What is the InChIKey of trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane?
The InChIKey is ZLNIGUGKLVGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46Si4/c1-35(2,3)31-19-27-15-23-13-25-17-29-21-33(37(7,8)9)34(38(10,11)12)22-30(29)18-26(25)14-24(23)16-28(27)20-32(31)36(4,5)6/h13-22H,1-12H3.
What are the key properties of trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane?
trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane has a molecular weight of 567.09 g/mol, XLogP of 8.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3,9,10-tris(trimethylsilyl)pentacen-2-yl]silane is sourced from PubChem (CID 86031741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).