trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane

C38H42Si2 — CID 15312832

IUPACtrimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#C[Si](C)(C)C)cc3)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C38H42Si2/c1-30(2)40(31(3)4,32(5)6)29-27-38-24-20-36(21-25-38)17-15-34-12-10-33(11-13-34)14-16-35-18-22-37(23-19-35)26-28-39(7,8)9/h10-13,18-25,30-32H,1-9H3
InChIKeyVBVUINULPRUAAZ-UHFFFAOYSA-N
MW554.93 g/mol
LogP9.28
Rot. Bonds3

About trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane

trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane (PubChem CID 15312832) has the molecular formula C38H42Si2 and a molecular weight of 554.93 g/mol. Its IUPAC name is trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
PubChem CID15312832
Molecular FormulaC38H42Si2
Molecular Weight554.93 g/mol
Exact Mass554.28
IUPAC Nametrimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#C[Si](C)(C)C)cc3)cc2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C38H42Si2/c1-30(2)40(31(3)4,32(5)6)29-27-38-24-20-36(21-25-38)17-15-34-12-10-33(11-13-34)14-16-35-18-22-37(23-19-35)26-28-39(7,8)9/h10-13,18-25,30-32H,1-9H3
InChIKeyVBVUINULPRUAAZ-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.93
LogP ≤ 59.28
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane (CID 15312832) is trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane is CC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#C[Si](C)(C)C)cc3)cc2)cc1)(C(C)C)C(C)C.
What is the InChIKey of trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane?
The InChIKey is VBVUINULPRUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42Si2/c1-30(2)40(31(3)4,32(5)6)29-27-38-24-20-36(21-25-38)17-15-34-12-10-33(11-13-34)14-16-35-18-22-37(23-19-35)26-28-39(7,8)9/h10-13,18-25,30-32H,1-9H3.
What are the key properties of trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane?
trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane has a molecular weight of 554.93 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane is sourced from PubChem (CID 15312832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).