6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene

C72H42S4 — CID 153066120

IUPAC6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
SMILESc1cc(-c2cccc(-c3cccc4c3sc3cccc(-c5ccc6sc7c(-c8ccccc8-c8ccccc8-c8cccc9c8sc8ccccc89)cccc7c6c5)c34)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C72H42S4/c1-3-22-53(57-29-13-32-60-56-25-6-8-36-65(56)74-71(57)60)51(20-1)52-21-2-4-23-54(52)58-30-14-33-61-63-42-47(38-39-66(63)75-72(58)61)48-26-15-37-67-68(48)62-34-12-28-50(70(62)76-67)46-19-10-17-44(41-46)43-16-9-18-45(40-43)49-27-11-31-59-55-24-5-7-35-64(55)73-69(49)59/h1-42H
InChIKeyVKKJYCQKXPRWCV-UHFFFAOYSA-N
MW1035.40 g/mol
LogP22.83
Rot. Bonds7

About 6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene

6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene (PubChem CID 153066120) has the molecular formula C72H42S4 and a molecular weight of 1035.40 g/mol. Its IUPAC name is 6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene.

Molecular Properties

Compound Name6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
PubChem CID153066120
Molecular FormulaC72H42S4
Molecular Weight1035.40 g/mol
Exact Mass1034.22
IUPAC Name6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
SMILESc1cc(-c2cccc(-c3cccc4c3sc3cccc(-c5ccc6sc7c(-c8ccccc8-c8ccccc8-c8cccc9c8sc8ccccc89)cccc7c6c5)c34)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C72H42S4/c1-3-22-53(57-29-13-32-60-56-25-6-8-36-65(56)74-71(57)60)51(20-1)52-21-2-4-23-54(52)58-30-14-33-61-63-42-47(38-39-66(63)75-72(58)61)48-26-15-37-67-68(48)62-34-12-28-50(70(62)76-67)46-19-10-17-44(41-46)43-16-9-18-45(40-43)49-27-11-31-59-55-24-5-7-35-64(55)73-69(49)59/h1-42H
InChIKeyVKKJYCQKXPRWCV-UHFFFAOYSA-N
XLogP22.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.40
LogP ≤ 522.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene with MolForge

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Related Compounds

4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
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-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline
CID 167592386
2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene
CID 134203852
2,8-bis(3-dibenzothiophen-4-ylphenyl)naphtho[2,3-b][1]benzothiole
CID 155277061
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199444

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene?
The IUPAC name of 6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene (CID 153066120) is 6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene.
What is the SMILES notation for 6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene?
The canonical SMILES for 6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene is c1cc(-c2cccc(-c3cccc4c3sc3cccc(-c5ccc6sc7c(-c8ccccc8-c8ccccc8-c8cccc9c8sc8ccccc89)cccc7c6c5)c34)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene?
The InChIKey is VKKJYCQKXPRWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42S4/c1-3-22-53(57-29-13-32-60-56-25-6-8-36-65(56)74-71(57)60)51(20-1)52-21-2-4-23-54(52)58-30-14-33-61-63-42-47(38-39-66(63)75-72(58)61)48-26-15-37-67-68(48)62-34-12-28-50(70(62)76-67)46-19-10-17-44(41-46)43-16-9-18-45(40-43)49-27-11-31-59-55-24-5-7-35-64(55)73-69(49)59/h1-42H.
What are the key properties of 6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene?
6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene has a molecular weight of 1035.40 g/mol, XLogP of 22.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene is sourced from PubChem (CID 153066120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).