[(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane

C42H32S4Si2 — CID 102025351

IUPAC[(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane
SMILESc1ccc(C2=C([SiH](c3ccccc3)c3ccccc3)S/C(=C3\SC(c4ccccc4)=C([SiH](c4ccccc4)c4ccccc4)S3)S2)cc1
InChIInChI=1S/C42H32S4Si2/c1-7-19-31(20-8-1)37-41(47(33-23-11-3-12-24-33)34-25-13-4-14-26-34)45-39(43-37)40-44-38(32-21-9-2-10-22-32)42(46-40)48(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,47-48H/b40-39+
InChIKeyRLLITYVWQPNVPR-XQQUEIPISA-N
MW721.16 g/mol
LogP8.97
Rot. Bonds8

About [(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane

[(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane (PubChem CID 102025351) has the molecular formula C42H32S4Si2 and a molecular weight of 721.16 g/mol. Its IUPAC name is [(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane.

Molecular Properties

Compound Name[(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane
PubChem CID102025351
Molecular FormulaC42H32S4Si2
Molecular Weight721.16 g/mol
Exact Mass720.09
IUPAC Name[(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane
SMILESc1ccc(C2=C([SiH](c3ccccc3)c3ccccc3)S/C(=C3\SC(c4ccccc4)=C([SiH](c4ccccc4)c4ccccc4)S3)S2)cc1
InChIInChI=1S/C42H32S4Si2/c1-7-19-31(20-8-1)37-41(47(33-23-11-3-12-24-33)34-25-13-4-14-26-34)45-39(43-37)40-44-38(32-21-9-2-10-22-32)42(46-40)48(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,47-48H/b40-39+
InChIKeyRLLITYVWQPNVPR-XQQUEIPISA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.16
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane?
The IUPAC name of [(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane (CID 102025351) is [(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane.
What is the SMILES notation for [(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane?
The canonical SMILES for [(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane is c1ccc(C2=C([SiH](c3ccccc3)c3ccccc3)S/C(=C3\SC(c4ccccc4)=C([SiH](c4ccccc4)c4ccccc4)S3)S2)cc1.
What is the InChIKey of [(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane?
The InChIKey is RLLITYVWQPNVPR-XQQUEIPISA-N. The full InChI is InChI=1S/C42H32S4Si2/c1-7-19-31(20-8-1)37-41(47(33-23-11-3-12-24-33)34-25-13-4-14-26-34)45-39(43-37)40-44-38(32-21-9-2-10-22-32)42(46-40)48(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,47-48H/b40-39+.
What are the key properties of [(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane?
[(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane has a molecular weight of 721.16 g/mol, XLogP of 8.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-(4-diphenylsilyl-5-phenyl-1,3-dithiol-2-ylidene)-5-phenyl-1,3-dithiol-4-yl]-diphenylsilane is sourced from PubChem (CID 102025351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).