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

C36H49BrSi2 — CID 138984208

IUPAC2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(Br)ccc12)(C(C)C)C(C)C
InChIInChI=1S/C36H49BrSi2/c1-24(2)38(25(3)4,26(5)6)21-19-34-31-15-13-14-16-32(31)35(36-23-30(37)17-18-33(34)36)20-22-39(27(7)8,28(9)10)29(11)12/h13-18,23-29H,1-12H3
InChIKeyIBZVEJREZYPEBI-UHFFFAOYSA-N
MW617.86 g/mol
LogP11.89
Rot. Bonds6

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

2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 138984208) has the molecular formula C36H49BrSi2 and a molecular weight of 617.86 g/mol. Its IUPAC name is 2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID138984208
Molecular FormulaC36H49BrSi2
Molecular Weight617.86 g/mol
Exact Mass616.26
IUPAC Name2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(Br)ccc12)(C(C)C)C(C)C
InChIInChI=1S/C36H49BrSi2/c1-24(2)38(25(3)4,26(5)6)21-19-34-31-15-13-14-16-32(31)35(36-23-30(37)17-18-33(34)36)20-22-39(27(7)8,28(9)10)29(11)12/h13-18,23-29H,1-12H3
InChIKeyIBZVEJREZYPEBI-UHFFFAOYSA-N
XLogP11.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.86
LogP ≤ 511.89
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 2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane (CID 138984208) is 2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc(Br)ccc12)(C(C)C)C(C)C.
What is the InChIKey of 2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is IBZVEJREZYPEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49BrSi2/c1-24(2)38(25(3)4,26(5)6)21-19-34-31-15-13-14-16-32(31)35(36-23-30(37)17-18-33(34)36)20-22-39(27(7)8,28(9)10)29(11)12/h13-18,23-29H,1-12H3.
What are the key properties of 2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane?
2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 617.86 g/mol, XLogP of 11.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 138984208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).