[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane

C36H29NSSi — CID 169293440

IUPAC[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)nc4)cc3c2)cc1
InChIInChI=1S/C36H29NSSi/c1-39(2,3)30-18-15-24(16-19-30)26-13-11-25-12-14-27(22-29(25)21-26)28-17-20-34(37-23-28)33-9-6-8-32-31-7-4-5-10-35(31)38-36(32)33/h4-23H,1-3H3
InChIKeyGDEWMBIMRJSPMW-UHFFFAOYSA-N
MW535.79 g/mol
LogP10.15
Rot. Bonds4

About [4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane

[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane (PubChem CID 169293440) has the molecular formula C36H29NSSi and a molecular weight of 535.79 g/mol. Its IUPAC name is [4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
PubChem CID169293440
Molecular FormulaC36H29NSSi
Molecular Weight535.79 g/mol
Exact Mass535.18
IUPAC Name[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)nc4)cc3c2)cc1
InChIInChI=1S/C36H29NSSi/c1-39(2,3)30-18-15-24(16-19-30)26-13-11-25-12-14-27(22-29(25)21-26)28-17-20-34(37-23-28)33-9-6-8-32-31-7-4-5-10-35(31)38-36(32)33/h4-23H,1-3H3
InChIKeyGDEWMBIMRJSPMW-UHFFFAOYSA-N
XLogP10.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.79
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293747
2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 170294144
3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293933
2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene
CID 159306062
5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915
8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine
CID 170293421
[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
CID 171056497
2-dibenzothiophen-4-yl-4-[4-(7-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441660
4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294012
4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294074
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441659
3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline
CID 169293985

Frequently Asked Questions

What is the IUPAC name of [4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane (CID 169293440) is [4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)nc4)cc3c2)cc1.
What is the InChIKey of [4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane?
The InChIKey is GDEWMBIMRJSPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29NSSi/c1-39(2,3)30-18-15-24(16-19-30)26-13-11-25-12-14-27(22-29(25)21-26)28-17-20-34(37-23-28)33-9-6-8-32-31-7-4-5-10-35(31)38-36(32)33/h4-23H,1-3H3.
What are the key properties of [4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane?
[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane has a molecular weight of 535.79 g/mol, XLogP of 10.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 169293440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).