[7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane

C62H66S4Si2 — CID 102400721

IUPAC[7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1cc2c(s1)c(-c1ccccc1)c(-c1ccccc1)c1sc(-c3cc4c(s3)c(-c3ccccc3)c(-c3ccccc3)c3sc([Si](C(C)C)(C(C)C)C(C)C)cc34)cc12)(C(C)C)C(C)C
InChIInChI=1S/C62H66S4Si2/c1-37(2)67(38(3)4,39(5)6)53-35-49-47-33-51(63-59(47)55(43-25-17-13-18-26-43)57(61(49)65-53)45-29-21-15-22-30-45)52-34-48-50-36-54(68(40(7)8,41(9)10)42(11)12)66-62(50)58(46-31-23-16-24-32-46)56(60(48)64-52)44-27-19-14-20-28-44/h13-42H,1-12H3
InChIKeyYPUSKCPSPDQPOM-UHFFFAOYSA-N
MW995.65 g/mol
LogP20.65
Rot. Bonds13

About [7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane

[7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane (PubChem CID 102400721) has the molecular formula C62H66S4Si2 and a molecular weight of 995.65 g/mol. Its IUPAC name is [7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane
PubChem CID102400721
Molecular FormulaC62H66S4Si2
Molecular Weight995.65 g/mol
Exact Mass994.36
IUPAC Name[7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1cc2c(s1)c(-c1ccccc1)c(-c1ccccc1)c1sc(-c3cc4c(s3)c(-c3ccccc3)c(-c3ccccc3)c3sc([Si](C(C)C)(C(C)C)C(C)C)cc34)cc12)(C(C)C)C(C)C
InChIInChI=1S/C62H66S4Si2/c1-37(2)67(38(3)4,39(5)6)53-35-49-47-33-51(63-59(47)55(43-25-17-13-18-26-43)57(61(49)65-53)45-29-21-15-22-30-45)52-34-48-50-36-54(68(40(7)8,41(9)10)42(11)12)66-62(50)58(46-31-23-16-24-32-46)56(60(48)64-52)44-27-19-14-20-28-44/h13-42H,1-12H3
InChIKeyYPUSKCPSPDQPOM-UHFFFAOYSA-N
XLogP20.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.65
LogP ≤ 520.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane?
The IUPAC name of [7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane (CID 102400721) is [7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane is CC(C)[Si](c1cc2c(s1)c(-c1ccccc1)c(-c1ccccc1)c1sc(-c3cc4c(s3)c(-c3ccccc3)c(-c3ccccc3)c3sc([Si](C(C)C)(C(C)C)C(C)C)cc34)cc12)(C(C)C)C(C)C.
What is the InChIKey of [7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane?
The InChIKey is YPUSKCPSPDQPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H66S4Si2/c1-37(2)67(38(3)4,39(5)6)53-35-49-47-33-51(63-59(47)55(43-25-17-13-18-26-43)57(61(49)65-53)45-29-21-15-22-30-45)52-34-48-50-36-54(68(40(7)8,41(9)10)42(11)12)66-62(50)58(46-31-23-16-24-32-46)56(60(48)64-52)44-27-19-14-20-28-44/h13-42H,1-12H3.
What are the key properties of [7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane?
[7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane has a molecular weight of 995.65 g/mol, XLogP of 20.65, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[4,5-diphenyl-2-tri(propan-2-yl)silylthieno[3,2-e][1]benzothiol-7-yl]-4,5-diphenylthieno[3,2-e][1]benzothiol-2-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 102400721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).