tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane

C64H66Si2 — CID 101376385

IUPACtri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1cccc2cc3cccc(-c4cccc5cc6cccc(-c7cccc8cc9cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c9cc78)c6cc45)c3cc12)(C(C)C)C(C)C
InChIInChI=1S/C64H66Si2/c1-41(2)65(42(3)4,43(5)6)33-31-47-19-13-21-49-35-51-23-15-27-55(61(51)38-59(47)49)57-29-17-25-53-37-54-26-18-30-58(64(54)40-63(53)57)56-28-16-24-52-36-50-22-14-20-48(60(50)39-62(52)56)32-34-66(44(7)8,45(9)10)46(11)12/h13-30,35-46H,1-12H3
InChIKeyORXSWRNMEAKTQM-UHFFFAOYSA-N
MW891.40 g/mol
LogP19.08
Rot. Bonds8

About tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane

tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane (PubChem CID 101376385) has the molecular formula C64H66Si2 and a molecular weight of 891.40 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane
PubChem CID101376385
Molecular FormulaC64H66Si2
Molecular Weight891.40 g/mol
Exact Mass890.47
IUPAC Nametri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1cccc2cc3cccc(-c4cccc5cc6cccc(-c7cccc8cc9cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c9cc78)c6cc45)c3cc12)(C(C)C)C(C)C
InChIInChI=1S/C64H66Si2/c1-41(2)65(42(3)4,43(5)6)33-31-47-19-13-21-49-35-51-23-15-27-55(61(51)38-59(47)49)57-29-17-25-53-37-54-26-18-30-58(64(54)40-63(53)57)56-28-16-24-52-36-50-22-14-20-48(60(50)39-62(52)56)32-34-66(44(7)8,45(9)10)46(11)12/h13-30,35-46H,1-12H3
InChIKeyORXSWRNMEAKTQM-UHFFFAOYSA-N
XLogP19.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.40
LogP ≤ 519.08
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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Related Compounds

1-ethynylpentacene;2-pentacen-1-ylethynyl-tri(propan-2-yl)silane
CID 162196732
tri(propan-2-yl)-[2-[5-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]ethynyl]silane
CID 169050439
2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
CID 172770532
1,8-bis(prop-1-ynyl)anthracene
CID 122211067
2-pentacen-6-ylethynyl-tri(propan-2-yl)silane
CID 141495098
trimethyl(2-pentacen-1-ylethynyl)silane
CID 141150264
1,8-bis(2-bromoethynyl)anthracene
CID 71401703
3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
CID 174110724
tri(propan-2-yl)-[10-propan-2-yl-8-[2-[8-[2-[10-propan-2-yl-8-[2-[8-[2-[10-propan-2-yl-8-[2-[8-[2-[10-propan-2-yl-8-tri(propan-2-yl)silylanthracen-1-yl]ethynyl]anthracen-1-yl]ethynyl]anthracen-1-yl]ethynyl]anthracen-1-yl]ethynyl]anthracen-1-yl]ethynyl]anthracen-1-yl]ethynyl]anthracen-1-yl]silane
CID 101355529
2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane
CID 169049968
tri(propan-2-yl)-[2-[20-[2-tri(propan-2-yl)silylethynyl]-2,4,11,13,15,22-hexazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-6-yl]ethynyl]silane
CID 102459339
2-methyl-8-[2-tri(propan-2-yl)silylethynyl]isoquinolin-1-one
CID 132602501

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane (CID 101376385) is tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane is CC(C)[Si](C#Cc1cccc2cc3cccc(-c4cccc5cc6cccc(-c7cccc8cc9cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c9cc78)c6cc45)c3cc12)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane?
The InChIKey is ORXSWRNMEAKTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H66Si2/c1-41(2)65(42(3)4,43(5)6)33-31-47-19-13-21-49-35-51-23-15-27-55(61(51)38-59(47)49)57-29-17-25-53-37-54-26-18-30-58(64(54)40-63(53)57)56-28-16-24-52-36-50-22-14-20-48(60(50)39-62(52)56)32-34-66(44(7)8,45(9)10)46(11)12/h13-30,35-46H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane?
tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane has a molecular weight of 891.40 g/mol, XLogP of 19.08, 8 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-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane is sourced from PubChem (CID 101376385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).