4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane

C46H36S3 — CID 144600989

IUPAC4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
SMILESCC.CC.c1ccc2c(c1)sc1c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cccc12
InChIInChI=1S/C42H24S3.2C2H6/c1-4-19-37-31(10-1)34-16-7-13-28(40(34)43-37)25-22-26(29-14-8-17-35-32-11-2-5-20-38(32)44-41(29)35)24-27(23-25)30-15-9-18-36-33-12-3-6-21-39(33)45-42(30)36;2*1-2/h1-24H;2*1-2H3
InChIKeyOSQXLOFFNFDRBW-UHFFFAOYSA-N
MW685.00 g/mol
LogP15.84
Rot. Bonds3

About 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane

4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane (PubChem CID 144600989) has the molecular formula C46H36S3 and a molecular weight of 685.00 g/mol. Its IUPAC name is 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane.

Molecular Properties

Compound Name4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
PubChem CID144600989
Molecular FormulaC46H36S3
Molecular Weight685.00 g/mol
Exact Mass684.20
IUPAC Name4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
SMILESCC.CC.c1ccc2c(c1)sc1c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cccc12
InChIInChI=1S/C42H24S3.2C2H6/c1-4-19-37-31(10-1)34-16-7-13-28(40(34)43-37)25-22-26(29-14-8-17-35-32-11-2-5-20-38(32)44-41(29)35)24-27(23-25)30-15-9-18-36-33-12-3-6-21-39(33)45-42(30)36;2*1-2/h1-24H;2*1-2H3
InChIKeyOSQXLOFFNFDRBW-UHFFFAOYSA-N
XLogP15.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.00
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-(3-bromo-5-phenylphenyl)dibenzothiophene
CID 142380549
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
CID 59133620
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
CID 59133526
4-[4-[3-(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)phenyl]-2,5-dimethylphenyl]dibenzothiophene
CID 59386402

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane?
The IUPAC name of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane (CID 144600989) is 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane.
What is the SMILES notation for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane?
The canonical SMILES for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane is CC.CC.c1ccc2c(c1)sc1c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cccc12.
What is the InChIKey of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane?
The InChIKey is OSQXLOFFNFDRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24S3.2C2H6/c1-4-19-37-31(10-1)34-16-7-13-28(40(34)43-37)25-22-26(29-14-8-17-35-32-11-2-5-20-38(32)44-41(29)35)24-27(23-25)30-15-9-18-36-33-12-3-6-21-39(33)45-42(30)36;2*1-2/h1-24H;2*1-2H3.
What are the key properties of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane?
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane has a molecular weight of 685.00 g/mol, XLogP of 15.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane is sourced from PubChem (CID 144600989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).