(4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane

C62H48SSi2 — CID 141320991

IUPAC(4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane
SMILESCc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccc(C)cc6)cc5)cc34)cc2)cc1
InChIInChI=1S/C62H48SSi2/c1-45-23-33-55(34-24-45)64(51-15-7-3-8-16-51,52-17-9-4-10-18-52)57-37-27-47(28-38-57)49-32-42-61-60(43-49)59-41-31-50(44-62(59)63-61)48-29-39-58(40-30-48)65(53-19-11-5-12-20-53,54-21-13-6-14-22-54)56-35-25-46(2)26-36-56/h3-44H,1-2H3
InChIKeyOHZBTWUKRSZWQM-UHFFFAOYSA-N
MW881.31 g/mol
LogP10.76
Rot. Bonds10

About (4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane

(4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane (PubChem CID 141320991) has the molecular formula C62H48SSi2 and a molecular weight of 881.31 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane
PubChem CID141320991
Molecular FormulaC62H48SSi2
Molecular Weight881.31 g/mol
Exact Mass880.30
IUPAC Name(4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane
SMILESCc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccc(C)cc6)cc5)cc34)cc2)cc1
InChIInChI=1S/C62H48SSi2/c1-45-23-33-55(34-24-45)64(51-15-7-3-8-16-51,52-17-9-4-10-18-52)57-37-27-47(28-38-57)49-32-42-61-60(43-49)59-41-31-50(44-62(59)63-61)48-29-39-58(40-30-48)65(53-19-11-5-12-20-53,54-21-13-6-14-22-54)56-35-25-46(2)26-36-56/h3-44H,1-2H3
InChIKeyOHZBTWUKRSZWQM-UHFFFAOYSA-N
XLogP10.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.31
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane with MolForge

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

Launch Full Analysis

Related Compounds

dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane
CID 90250529
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
20-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 155006729
2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155328614
2,4-diphenyl-6-[8-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 149451405
4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
dibenzothiophen-2-yl-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenylsilane
CID 168845229
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane?
The IUPAC name of (4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane (CID 141320991) is (4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane.
What is the SMILES notation for (4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane?
The canonical SMILES for (4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane is Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccc(C)cc6)cc5)cc34)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane?
The InChIKey is OHZBTWUKRSZWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48SSi2/c1-45-23-33-55(34-24-45)64(51-15-7-3-8-16-51,52-17-9-4-10-18-52)57-37-27-47(28-38-57)49-32-42-61-60(43-49)59-41-31-50(44-62(59)63-61)48-29-39-58(40-30-48)65(53-19-11-5-12-20-53,54-21-13-6-14-22-54)56-35-25-46(2)26-36-56/h3-44H,1-2H3.
What are the key properties of (4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane?
(4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane has a molecular weight of 881.31 g/mol, XLogP of 10.76, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane is sourced from PubChem (CID 141320991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).