tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane

C40H52Si2 — CID 58362242

IUPACtri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccc2c(ccc3c4ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4ccc23)c1)(C(C)C)C(C)C
InChIInChI=1S/C40H52Si2/c1-27(2)41(28(3)4,29(5)6)23-21-33-13-17-37-35(25-33)15-19-40-38-18-14-34(26-36(38)16-20-39(37)40)22-24-42(30(7)8,31(9)10)32(11)12/h13-20,25-32H,1-12H3
InChIKeyVTINKTWFHUOUQU-UHFFFAOYSA-N
MW589.03 g/mol
LogP12.29
Rot. Bonds6

About tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane

tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane (PubChem CID 58362242) has the molecular formula C40H52Si2 and a molecular weight of 589.03 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane
PubChem CID58362242
Molecular FormulaC40H52Si2
Molecular Weight589.03 g/mol
Exact Mass588.36
IUPAC Nametri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccc2c(ccc3c4ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4ccc23)c1)(C(C)C)C(C)C
InChIInChI=1S/C40H52Si2/c1-27(2)41(28(3)4,29(5)6)23-21-33-13-17-37-35(25-33)15-19-40-38-18-14-34(26-36(38)16-20-39(37)40)22-24-42(30(7)8,31(9)10)32(11)12/h13-20,25-32H,1-12H3
InChIKeyVTINKTWFHUOUQU-UHFFFAOYSA-N
XLogP12.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.03
LogP ≤ 512.29
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_3', '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-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane (CID 58362242) is tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane is CC(C)[Si](C#Cc1ccc2c(ccc3c4ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4ccc23)c1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane?
The InChIKey is VTINKTWFHUOUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52Si2/c1-27(2)41(28(3)4,29(5)6)23-21-33-13-17-37-35(25-33)15-19-40-38-18-14-34(26-36(38)16-20-39(37)40)22-24-42(30(7)8,31(9)10)32(11)12/h13-20,25-32H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane?
tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane has a molecular weight of 589.03 g/mol, XLogP of 12.29, 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-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane is sourced from PubChem (CID 58362242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).