[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane

C43H34SSi — CID 169293747

IUPAC[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C43H34SSi/c1-45(2,3)38-25-23-30(24-26-38)29-11-13-31(14-12-29)35-21-17-33-18-22-36(28-37(33)27-35)32-15-19-34(20-16-32)39-8-6-9-41-40-7-4-5-10-42(40)44-43(39)41/h4-28H,1-3H3
InChIKeyGKQBUKGASAIYSD-UHFFFAOYSA-N
MW610.90 g/mol
LogP12.42
Rot. Bonds5

About [4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane

[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane (PubChem CID 169293747) has the molecular formula C43H34SSi and a molecular weight of 610.90 g/mol. Its IUPAC name is [4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
PubChem CID169293747
Molecular FormulaC43H34SSi
Molecular Weight610.90 g/mol
Exact Mass610.22
IUPAC Name[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C43H34SSi/c1-45(2,3)38-25-23-30(24-26-38)29-11-13-31(14-12-29)35-21-17-33-18-22-36(28-37(33)27-35)32-15-19-34(20-16-32)39-8-6-9-41-40-7-4-5-10-42(40)44-43(39)41/h4-28H,1-3H3
InChIKeyGKQBUKGASAIYSD-UHFFFAOYSA-N
XLogP12.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.90
LogP ≤ 512.42
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

[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293440
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
[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-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169293546
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441659
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260

Frequently Asked Questions

What is the IUPAC name of [4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane (CID 169293747) is [4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4c3)cc2)cc1.
What is the InChIKey of [4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
The InChIKey is GKQBUKGASAIYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34SSi/c1-45(2,3)38-25-23-30(24-26-38)29-11-13-31(14-12-29)35-21-17-33-18-22-36(28-37(33)27-35)32-15-19-34(20-16-32)39-8-6-9-41-40-7-4-5-10-42(40)44-43(39)41/h4-28H,1-3H3.
What are the key properties of [4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane has a molecular weight of 610.90 g/mol, XLogP of 12.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 169293747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).