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

C39H32SSi — CID 171056513

IUPAC[3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)c1
InChIInChI=1S/C39H32SSi/c1-41(2,3)35-8-6-7-33(25-35)31-19-15-29(16-20-31)27-11-13-28(14-12-27)30-17-21-32(22-18-30)34-23-24-39-37(26-34)36-9-4-5-10-38(36)40-39/h4-26H,1-3H3
InChIKeyPXZJQUMJRVCBSU-UHFFFAOYSA-N
MW560.84 g/mol
LogP11.27
Rot. Bonds5

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

[3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 171056513) has the molecular formula C39H32SSi and a molecular weight of 560.84 g/mol. Its IUPAC name is [3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
PubChem CID171056513
Molecular FormulaC39H32SSi
Molecular Weight560.84 g/mol
Exact Mass560.20
IUPAC Name[3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)c1
InChIInChI=1S/C39H32SSi/c1-41(2,3)35-8-6-7-33(25-35)31-19-15-29(16-20-31)27-11-13-28(14-12-27)30-17-21-32(22-18-30)34-23-24-39-37(26-34)36-9-4-5-10-38(36)40-39/h4-26H,1-3H3
InChIKeyPXZJQUMJRVCBSU-UHFFFAOYSA-N
XLogP11.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.84
LogP ≤ 511.27
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-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane
CID 171056255
(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-phenylphenyl)aniline
CID 118640902
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
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-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane (CID 171056513) is [3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1cccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)c1.
What is the InChIKey of [3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane?
The InChIKey is PXZJQUMJRVCBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32SSi/c1-41(2,3)35-8-6-7-33(25-35)31-19-15-29(16-20-31)27-11-13-28(14-12-27)30-17-21-32(22-18-30)34-23-24-39-37(26-34)36-9-4-5-10-38(36)40-39/h4-26H,1-3H3.
What are the key properties of [3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane?
[3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 560.84 g/mol, XLogP of 11.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 171056513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).