trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane

C45H62O3Si5 — CID 71121606

IUPACtrimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane
SMILESCO[Si](OC)(OC)c1ccc(-c2cc([Si](C)(C)C)c(-c3ccc(-c4c([Si](C)(C)C)cc(-c5ccccc5)cc4[Si](C)(C)C)cc3)c([Si](C)(C)C)c2)cc1
InChIInChI=1S/C45H62O3Si5/c1-46-53(47-2,48-3)39-27-25-34(26-28-39)38-31-42(51(10,11)12)45(43(32-38)52(13,14)15)36-23-21-35(22-24-36)44-40(49(4,5)6)29-37(30-41(44)50(7,8)9)33-19-17-16-18-20-33/h16-32H,1-15H3
InChIKeyPSZLNKRKIOMGAQ-UHFFFAOYSA-N
MW791.42 g/mol
LogP9.62
Rot. Bonds12

About trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane

trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane (PubChem CID 71121606) has the molecular formula C45H62O3Si5 and a molecular weight of 791.42 g/mol. Its IUPAC name is trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane.

Molecular Properties

Compound Nametrimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane
PubChem CID71121606
Molecular FormulaC45H62O3Si5
Molecular Weight791.42 g/mol
Exact Mass790.35
IUPAC Nametrimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane
SMILESCO[Si](OC)(OC)c1ccc(-c2cc([Si](C)(C)C)c(-c3ccc(-c4c([Si](C)(C)C)cc(-c5ccccc5)cc4[Si](C)(C)C)cc3)c([Si](C)(C)C)c2)cc1
InChIInChI=1S/C45H62O3Si5/c1-46-53(47-2,48-3)39-27-25-34(26-28-39)38-31-42(51(10,11)12)45(43(32-38)52(13,14)15)36-23-21-35(22-24-36)44-40(49(4,5)6)29-37(30-41(44)50(7,8)9)33-19-17-16-18-20-33/h16-32H,1-15H3
InChIKeyPSZLNKRKIOMGAQ-UHFFFAOYSA-N
XLogP9.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms53
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.42
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane?
The IUPAC name of trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane (CID 71121606) is trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane.
What is the SMILES notation for trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane?
The canonical SMILES for trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane is CO[Si](OC)(OC)c1ccc(-c2cc([Si](C)(C)C)c(-c3ccc(-c4c([Si](C)(C)C)cc(-c5ccccc5)cc4[Si](C)(C)C)cc3)c([Si](C)(C)C)c2)cc1.
What is the InChIKey of trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane?
The InChIKey is PSZLNKRKIOMGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H62O3Si5/c1-46-53(47-2,48-3)39-27-25-34(26-28-39)38-31-42(51(10,11)12)45(43(32-38)52(13,14)15)36-23-21-35(22-24-36)44-40(49(4,5)6)29-37(30-41(44)50(7,8)9)33-19-17-16-18-20-33/h16-32H,1-15H3.
What are the key properties of trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane?
trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane has a molecular weight of 791.42 g/mol, XLogP of 9.62, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane is sourced from PubChem (CID 71121606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).