(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)-phenylsilylidene]-phenylsilane

C68H100Si2 — CID 101437931

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)-phenylsilylidene]-phenylsilane
SMILESCCC1(CC)CC(CC)(CC)c2c1cc1c(c2/[Si](c2ccccc2)=[Si](\c2ccccc2)c2c3c(cc4c2C(CC)(CC)CC4(CC)CC)C(CC)(CC)CC3(CC)CC)C(CC)(CC)CC1(CC)CC
InChIInChI=1S/C68H100Si2/c1-17-61(18-2)45-65(25-9,26-10)55-51(61)43-52-56(66(27-11,28-12)46-62(52,19-3)20-4)59(55)69(49-39-35-33-36-40-49)70(50-41-37-34-38-42-50)60-57-53(63(21-5,22-6)47-67(57,29-13)30-14)44-54-58(60)68(31-15,32-16)48-64(54,23-7)24-8/h33-44H,17-32,45-48H2,1-16H3/b70-69+
InChIKeyQCURHVYYWCIGCX-QNRHEQFBSA-N
MW973.72 g/mol
LogP16.76
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)-phenylsilylidene]-phenylsilane

(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)-phenylsilylidene]-phenylsilane (PubChem CID 101437931) has the molecular formula C68H100Si2 and a molecular weight of 973.72 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)-phenylsilylidene]-phenylsilane.

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)-phenylsilylidene]-phenylsilane
PubChem CID101437931
Molecular FormulaC68H100Si2
Molecular Weight973.72 g/mol
Exact Mass972.74
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)-phenylsilylidene]-phenylsilane
SMILESCCC1(CC)CC(CC)(CC)c2c1cc1c(c2/[Si](c2ccccc2)=[Si](\c2ccccc2)c2c3c(cc4c2C(CC)(CC)CC4(CC)CC)C(CC)(CC)CC3(CC)CC)C(CC)(CC)CC1(CC)CC
InChIInChI=1S/C68H100Si2/c1-17-61(18-2)45-65(25-9,26-10)55-51(61)43-52-56(66(27-11,28-12)46-62(52,19-3)20-4)59(55)69(49-39-35-33-36-40-49)70(50-41-37-34-38-42-50)60-57-53(63(21-5,22-6)47-67(57,29-13)30-14)44-54-58(60)68(31-15,32-16)48-64(54,23-7)24-8/h33-44H,17-32,45-48H2,1-16H3/b70-69+
InChIKeyQCURHVYYWCIGCX-QNRHEQFBSA-N
XLogP16.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.72
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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)-phenylsilylidene]-phenylsilane 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)-phenylsilylidene]-phenylsilane?
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)-phenylsilylidene]-phenylsilane (CID 101437931) 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)-phenylsilylidene]-phenylsilane.
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)-phenylsilylidene]-phenylsilane?
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)-phenylsilylidene]-phenylsilane is CCC1(CC)CC(CC)(CC)c2c1cc1c(c2/[Si](c2ccccc2)=[Si](\c2ccccc2)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)-phenylsilylidene]-phenylsilane?
The InChIKey is QCURHVYYWCIGCX-QNRHEQFBSA-N. The full InChI is InChI=1S/C68H100Si2/c1-17-61(18-2)45-65(25-9,26-10)55-51(61)43-52-56(66(27-11,28-12)46-62(52,19-3)20-4)59(55)69(49-39-35-33-36-40-49)70(50-41-37-34-38-42-50)60-57-53(63(21-5,22-6)47-67(57,29-13)30-14)44-54-58(60)68(31-15,32-16)48-64(54,23-7)24-8/h33-44H,17-32,45-48H2,1-16H3/b70-69+.
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)-phenylsilylidene]-phenylsilane?
(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)-phenylsilylidene]-phenylsilane has a molecular weight of 973.72 g/mol, XLogP of 16.76, 20 rotatable bonds, 0 hydrogen bond donors, and 0 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)-phenylsilylidene]-phenylsilane is sourced from PubChem (CID 101437931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).