(E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane

C64H96S2Si2 — CID 101498985

IUPAC(E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane
SMILESCCC1(CC)CC(CC)(CC)c2c1cc1c(c2/[Si](c2cccs2)=[Si](\c2cccs2)c2c3c(cc4c2C(CC)(CC)CC4(CC)CC)C(CC)(CC)CC3(CC)CC)C(CC)(CC)CC1(CC)CC
InChIInChI=1S/C64H96S2Si2/c1-17-57(18-2)41-61(25-9,26-10)51-45(57)39-46-52(62(27-11,28-12)42-58(46,19-3)20-4)55(51)67(49-35-33-37-65-49)68(50-36-34-38-66-50)56-53-47(59(21-5,22-6)43-63(53,29-13)30-14)40-48-54(56)64(31-15,32-16)44-60(48,23-7)24-8/h33-40H,17-32,41-44H2,1-16H3/b68-67+
InChIKeyDYRFWJXYWPQLHX-KSSWCAPESA-N
MW985.78 g/mol
LogP16.88
Rot. Bonds20

About (E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane

(E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane (PubChem CID 101498985) has the molecular formula C64H96S2Si2 and a molecular weight of 985.78 g/mol. Its IUPAC name is (E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane.

Molecular Properties

Compound Name(E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane
PubChem CID101498985
Molecular FormulaC64H96S2Si2
Molecular Weight985.78 g/mol
Exact Mass984.65
IUPAC Name(E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane
SMILESCCC1(CC)CC(CC)(CC)c2c1cc1c(c2/[Si](c2cccs2)=[Si](\c2cccs2)c2c3c(cc4c2C(CC)(CC)CC4(CC)CC)C(CC)(CC)CC3(CC)CC)C(CC)(CC)CC1(CC)CC
InChIInChI=1S/C64H96S2Si2/c1-17-57(18-2)41-61(25-9,26-10)51-45(57)39-46-52(62(27-11,28-12)42-58(46,19-3)20-4)55(51)67(49-35-33-37-65-49)68(50-36-34-38-66-50)56-53-47(59(21-5,22-6)43-63(53,29-13)30-14)40-48-54(56)64(31-15,32-16)44-60(48,23-7)24-8/h33-40H,17-32,41-44H2,1-16H3/b68-67+
InChIKeyDYRFWJXYWPQLHX-KSSWCAPESA-N
XLogP16.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.78
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane?
The IUPAC name of (E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane (CID 101498985) is (E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane.
What is the SMILES notation for (E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane?
The canonical SMILES for (E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane is CCC1(CC)CC(CC)(CC)c2c1cc1c(c2/[Si](c2cccs2)=[Si](\c2cccs2)c2c3c(cc4c2C(CC)(CC)CC4(CC)CC)C(CC)(CC)CC3(CC)CC)C(CC)(CC)CC1(CC)CC.
What is the InChIKey of (E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane?
The InChIKey is DYRFWJXYWPQLHX-KSSWCAPESA-N. The full InChI is InChI=1S/C64H96S2Si2/c1-17-57(18-2)41-61(25-9,26-10)51-45(57)39-46-52(62(27-11,28-12)42-58(46,19-3)20-4)55(51)67(49-35-33-37-65-49)68(50-36-34-38-66-50)56-53-47(59(21-5,22-6)43-63(53,29-13)30-14)40-48-54(56)64(31-15,32-16)44-60(48,23-7)24-8/h33-40H,17-32,41-44H2,1-16H3/b68-67+.
What are the key properties of (E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane?
(E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane has a molecular weight of 985.78 g/mol, XLogP of 16.88, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane is sourced from PubChem (CID 101498985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).