3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene

C48H30S2 — CID 165035673

IUPAC3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5c4sc4ccccc45)cc4sc5ccccc5c34)cc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C48H30S2/c1-4-15-31(16-5-1)40-27-34(28-41(32-17-6-2-7-18-32)46(40)33-19-8-3-9-20-33)42-29-35(30-45-47(42)39-22-11-13-26-44(39)49-45)36-23-14-24-38-37-21-10-12-25-43(37)50-48(36)38/h1-30H
InChIKeyFLTHQXHCCGIXKB-UHFFFAOYSA-N
MW670.90 g/mol
LogP14.76
Rot. Bonds5

About 3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene

3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene (PubChem CID 165035673) has the molecular formula C48H30S2 and a molecular weight of 670.90 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene
PubChem CID165035673
Molecular FormulaC48H30S2
Molecular Weight670.90 g/mol
Exact Mass670.18
IUPAC Name3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5c4sc4ccccc45)cc4sc5ccccc5c34)cc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C48H30S2/c1-4-15-31(16-5-1)40-27-34(28-41(32-17-6-2-7-18-32)46(40)33-19-8-3-9-20-33)42-29-35(30-45-47(42)39-22-11-13-26-44(39)49-45)36-23-14-24-38-37-21-10-12-25-43(37)50-48(36)38/h1-30H
InChIKeyFLTHQXHCCGIXKB-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.90
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170378405
2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349096
3-dibenzothiophen-1-yl-1-[4-(3,4-diphenylphenyl)phenyl]dibenzothiophene
CID 165093475
1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 157269152
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
CID 58323324
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene?
The IUPAC name of 3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene (CID 165035673) is 3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene.
What is the SMILES notation for 3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene?
The canonical SMILES for 3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene is c1ccc(-c2cc(-c3cc(-c4cccc5c4sc4ccccc45)cc4sc5ccccc5c34)cc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene?
The InChIKey is FLTHQXHCCGIXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30S2/c1-4-15-31(16-5-1)40-27-34(28-41(32-17-6-2-7-18-32)46(40)33-19-8-3-9-20-33)42-29-35(30-45-47(42)39-22-11-13-26-44(39)49-45)36-23-14-24-38-37-21-10-12-25-43(37)50-48(36)38/h1-30H.
What are the key properties of 3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene?
3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene has a molecular weight of 670.90 g/mol, XLogP of 14.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-1-(3,4,5-triphenylphenyl)dibenzothiophene is sourced from PubChem (CID 165035673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).