tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane

C73H90S12Si7 — CID 15907126

IUPACtris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane
SMILESCC(C)(C)[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc([Si](C)(C)[Si](C)([Si](C)(C)c5ccc(-c6ccc(-c7ccc(-c8ccc([Si](C)(C)C(C)(C)C)s8)s7)s6)s5)[Si](C)(C)c5ccc(-c6ccc(-c7ccc(-c8ccc([Si](C)(C)C(C)(C)C)s8)s7)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C73H90S12Si7/c1-71(2,3)86(10,11)65-41-35-59(80-65)53-29-23-47(74-53)50-26-32-56(77-50)62-38-44-68(83-62)89(16,17)92(22,90(18,19)69-45-39-63(84-69)57-33-27-51(78-57)48-24-30-54(75-48)60-36-42-66(81-60)87(12,13)72(4,5)6)91(20,21)70-46-40-64(85-70)58-34-28-52(79-58)49-25-31-55(76-49)61-37-43-67(82-61)88(14,15)73(7,8)9/h23-46H,1-22H3
InChIKeyDDQKUKATGHREAC-UHFFFAOYSA-N
MW1548.93 g/mol
LogP26.03
Rot. Bonds18

About tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane

tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane (PubChem CID 15907126) has the molecular formula C73H90S12Si7 and a molecular weight of 1548.93 g/mol. Its IUPAC name is tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane.

Molecular Properties

Compound Nametris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane
PubChem CID15907126
Molecular FormulaC73H90S12Si7
Molecular Weight1548.93 g/mol
Exact Mass1546.21
IUPAC Nametris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane
SMILESCC(C)(C)[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc([Si](C)(C)[Si](C)([Si](C)(C)c5ccc(-c6ccc(-c7ccc(-c8ccc([Si](C)(C)C(C)(C)C)s8)s7)s6)s5)[Si](C)(C)c5ccc(-c6ccc(-c7ccc(-c8ccc([Si](C)(C)C(C)(C)C)s8)s7)s6)s5)s4)s3)s2)s1
InChIInChI=1S/C73H90S12Si7/c1-71(2,3)86(10,11)65-41-35-59(80-65)53-29-23-47(74-53)50-26-32-56(77-50)62-38-44-68(83-62)89(16,17)92(22,90(18,19)69-45-39-63(84-69)57-33-27-51(78-57)48-24-30-54(75-48)60-36-42-66(81-60)87(12,13)72(4,5)6)91(20,21)70-46-40-64(85-70)58-34-28-52(79-58)49-25-31-55(76-49)61-37-43-67(82-61)88(14,15)73(7,8)9/h23-46H,1-22H3
InChIKeyDDQKUKATGHREAC-UHFFFAOYSA-N
XLogP26.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001548.93
LogP ≤ 526.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane?
The IUPAC name of tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane (CID 15907126) is tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane.
What is the SMILES notation for tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane?
The canonical SMILES for tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane is CC(C)(C)[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc([Si](C)(C)[Si](C)([Si](C)(C)c5ccc(-c6ccc(-c7ccc(-c8ccc([Si](C)(C)C(C)(C)C)s8)s7)s6)s5)[Si](C)(C)c5ccc(-c6ccc(-c7ccc(-c8ccc([Si](C)(C)C(C)(C)C)s8)s7)s6)s5)s4)s3)s2)s1.
What is the InChIKey of tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane?
The InChIKey is DDQKUKATGHREAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H90S12Si7/c1-71(2,3)86(10,11)65-41-35-59(80-65)53-29-23-47(74-53)50-26-32-56(77-50)62-38-44-68(83-62)89(16,17)92(22,90(18,19)69-45-39-63(84-69)57-33-27-51(78-57)48-24-30-54(75-48)60-36-42-66(81-60)87(12,13)72(4,5)6)91(20,21)70-46-40-64(85-70)58-34-28-52(79-58)49-25-31-55(76-49)61-37-43-67(82-61)88(14,15)73(7,8)9/h23-46H,1-22H3.
What are the key properties of tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane?
tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane has a molecular weight of 1548.93 g/mol, XLogP of 26.03, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[5-[5-[5-[5-[tert-butyl(dimethyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-methylsilane is sourced from PubChem (CID 15907126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).