dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane

C44H52Cl4Si2 — CID 102592233

IUPACdichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc(C(C)C)c([Si](Cl)(Cl)C#Cc2cccc3cccc(C#C[Si](Cl)(Cl)c4c(C(C)C)cc(C(C)C)cc4C(C)C)c23)c(C(C)C)c1
InChIInChI=1S/C44H52Cl4Si2/c1-27(2)36-23-38(29(5)6)43(39(24-36)30(7)8)49(45,46)21-19-34-17-13-15-33-16-14-18-35(42(33)34)20-22-50(47,48)44-40(31(9)10)25-37(28(3)4)26-41(44)32(11)12/h13-18,23-32H,1-12H3
InChIKeyJPAKYILQIOKYLZ-UHFFFAOYSA-N
MW778.88 g/mol
LogP13.02
Rot. Bonds8

About dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane

dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane (PubChem CID 102592233) has the molecular formula C44H52Cl4Si2 and a molecular weight of 778.88 g/mol. Its IUPAC name is dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane.

Molecular Properties

Compound Namedichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane
PubChem CID102592233
Molecular FormulaC44H52Cl4Si2
Molecular Weight778.88 g/mol
Exact Mass776.24
IUPAC Namedichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc(C(C)C)c([Si](Cl)(Cl)C#Cc2cccc3cccc(C#C[Si](Cl)(Cl)c4c(C(C)C)cc(C(C)C)cc4C(C)C)c23)c(C(C)C)c1
InChIInChI=1S/C44H52Cl4Si2/c1-27(2)36-23-38(29(5)6)43(39(24-36)30(7)8)49(45,46)21-19-34-17-13-15-33-16-14-18-35(42(33)34)20-22-50(47,48)44-40(31(9)10)25-37(28(3)4)26-41(44)32(11)12/h13-18,23-32H,1-12H3
InChIKeyJPAKYILQIOKYLZ-UHFFFAOYSA-N
XLogP13.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.88
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane?
The IUPAC name of dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane (CID 102592233) is dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane.
What is the SMILES notation for dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane?
The canonical SMILES for dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane is CC(C)c1cc(C(C)C)c([Si](Cl)(Cl)C#Cc2cccc3cccc(C#C[Si](Cl)(Cl)c4c(C(C)C)cc(C(C)C)cc4C(C)C)c23)c(C(C)C)c1.
What is the InChIKey of dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane?
The InChIKey is JPAKYILQIOKYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52Cl4Si2/c1-27(2)36-23-38(29(5)6)43(39(24-36)30(7)8)49(45,46)21-19-34-17-13-15-33-16-14-18-35(42(33)34)20-22-50(47,48)44-40(31(9)10)25-37(28(3)4)26-41(44)32(11)12/h13-18,23-32H,1-12H3.
What are the key properties of dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane?
dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane has a molecular weight of 778.88 g/mol, XLogP of 13.02, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[2-[8-[2-[dichloro-[2,4,6-tri(propan-2-yl)phenyl]silyl]ethynyl]naphthalen-1-yl]ethynyl]-[2,4,6-tri(propan-2-yl)phenyl]silane is sourced from PubChem (CID 102592233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).