tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane

C36H50Si2 — CID 71310996

IUPACtri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C36H50Si2/c1-25(2)37(26(3)4,27(5)6)23-21-35-31-17-13-15-19-33(31)36(34-20-16-14-18-32(34)35)22-24-38(28(7)8,29(9)10)30(11)12/h13-20,25-30H,1-12H3
InChIKeyFEAZNDXDTUMTIL-UHFFFAOYSA-N
MW538.97 g/mol
LogP11.13
Rot. Bonds6

About tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane

tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane (PubChem CID 71310996) has the molecular formula C36H50Si2 and a molecular weight of 538.97 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane
PubChem CID71310996
Molecular FormulaC36H50Si2
Molecular Weight538.97 g/mol
Exact Mass538.35
IUPAC Nametri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C36H50Si2/c1-25(2)37(26(3)4,27(5)6)23-21-35-31-17-13-15-19-33(31)36(34-20-16-14-18-32(34)35)22-24-38(28(7)8,29(9)10)30(11)12/h13-20,25-30H,1-12H3
InChIKeyFEAZNDXDTUMTIL-UHFFFAOYSA-N
XLogP11.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.97
LogP ≤ 511.13
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 tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane (CID 71310996) is tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane is CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccccc12)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane?
The InChIKey is FEAZNDXDTUMTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50Si2/c1-25(2)37(26(3)4,27(5)6)23-21-35-31-17-13-15-19-33(31)36(34-20-16-14-18-32(34)35)22-24-38(28(7)8,29(9)10)30(11)12/h13-20,25-30H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane?
tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane has a molecular weight of 538.97 g/mol, XLogP of 11.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane is sourced from PubChem (CID 71310996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).