[3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane

C33H28SSi — CID 171056255

IUPAC[3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)c1
InChIInChI=1S/C33H28SSi/c1-35(2,3)29-8-6-7-27(21-29)25-15-11-23(12-16-25)24-13-17-26(18-14-24)28-19-20-33-31(22-28)30-9-4-5-10-32(30)34-33/h4-22H,1-3H3
InChIKeyZLYKPPLBGBVAJK-UHFFFAOYSA-N
MW484.74 g/mol
LogP9.60
Rot. Bonds4

About [3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane

[3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane (PubChem CID 171056255) has the molecular formula C33H28SSi and a molecular weight of 484.74 g/mol. Its IUPAC name is [3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane
PubChem CID171056255
Molecular FormulaC33H28SSi
Molecular Weight484.74 g/mol
Exact Mass484.17
IUPAC Name[3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)c1
InChIInChI=1S/C33H28SSi/c1-35(2,3)29-8-6-7-27(21-29)25-15-11-23(12-16-25)24-13-17-26(18-14-24)28-19-20-33-31(22-28)30-9-4-5-10-32(30)34-33/h4-22H,1-3H3
InChIKeyZLYKPPLBGBVAJK-UHFFFAOYSA-N
XLogP9.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.74
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056513
(3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane
CID 123792211
[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
CID 171056497
(2-dibenzothiophen-2-yl-4-pyridinyl)-trimethylsilane
CID 140719910
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
2-[4-(3-fluorophenyl)phenyl]dibenzothiophene
CID 170397972
dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane
CID 90250529
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane?
The IUPAC name of [3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane (CID 171056255) is [3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1cccc(-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)c1.
What is the InChIKey of [3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane?
The InChIKey is ZLYKPPLBGBVAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28SSi/c1-35(2,3)29-8-6-7-27(21-29)25-15-11-23(12-16-25)24-13-17-26(18-14-24)28-19-20-33-31(22-28)30-9-4-5-10-32(30)34-33/h4-22H,1-3H3.
What are the key properties of [3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane?
[3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane has a molecular weight of 484.74 g/mol, XLogP of 9.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 171056255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).