[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane

C37H30SSi — CID 171056497

IUPAC[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc6sc7ccccc7c6c5)ccc4c3)cc2)cc1
InChIInChI=1S/C37H30SSi/c1-39(2,3)33-19-16-26(17-20-33)25-8-10-27(11-9-25)28-12-13-30-23-31(15-14-29(30)22-28)32-18-21-37-35(24-32)34-6-4-5-7-36(34)38-37/h4-24H,1-3H3
InChIKeyOLCWBLOAZBONSP-UHFFFAOYSA-N
MW534.80 g/mol
LogP10.75
Rot. Bonds4

About [4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane

[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane (PubChem CID 171056497) has the molecular formula C37H30SSi and a molecular weight of 534.80 g/mol. Its IUPAC name is [4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
PubChem CID171056497
Molecular FormulaC37H30SSi
Molecular Weight534.80 g/mol
Exact Mass534.18
IUPAC Name[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc6sc7ccccc7c6c5)ccc4c3)cc2)cc1
InChIInChI=1S/C37H30SSi/c1-39(2,3)33-19-16-26(17-20-33)25-8-10-27(11-9-25)28-12-13-30-23-31(15-14-29(30)22-28)32-18-21-37-35(24-32)34-6-4-5-7-36(34)38-37/h4-24H,1-3H3
InChIKeyOLCWBLOAZBONSP-UHFFFAOYSA-N
XLogP10.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.80
LogP ≤ 510.75
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-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane
CID 171056255
[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293747
2-(7-dibenzothiophen-2-ylpyren-2-yl)dibenzothiophene
CID 139341252
trimethyl-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]silane
CID 171056374
2,8-dinaphthalen-2-yldibenzothiophene
CID 58971417
2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 164956800
(3-dibenzothiophen-2-ylphenyl)-methyl-diphenylsilane
CID 123792211
2-[6-(3,5-ditert-butylphenyl)anthracen-2-yl]dibenzothiophene
CID 90262322
(2-dibenzothiophen-2-yl-4-pyridinyl)-trimethylsilane
CID 140719910
dibenzothiophen-2-yl-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-diphenylsilane
CID 90250529
trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane
CID 59024575

Frequently Asked Questions

What is the IUPAC name of [4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane (CID 171056497) is [4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc6sc7ccccc7c6c5)ccc4c3)cc2)cc1.
What is the InChIKey of [4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane?
The InChIKey is OLCWBLOAZBONSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30SSi/c1-39(2,3)33-19-16-26(17-20-33)25-8-10-27(11-9-25)28-12-13-30-23-31(15-14-29(30)22-28)32-18-21-37-35(24-32)34-6-4-5-7-36(34)38-37/h4-24H,1-3H3.
What are the key properties of [4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane?
[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane has a molecular weight of 534.80 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 171056497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).