3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene

C60H36S2 — CID 134507763

IUPAC3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-c2cccc3c2sc2c(-c4cccc(-c5cccc(-c6ccc7c(c6)sc6c(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cccc67)c5)c4)cccc23)cc1
InChIInChI=1S/C60H36S2/c1-2-13-37(14-3-1)44-23-10-27-54-55-28-12-24-45(60(55)62-59(44)54)42-18-9-17-40(34-42)38-15-8-16-39(33-38)41-29-32-52-53-26-11-25-46(58(53)61-57(52)36-41)43-30-31-51-49-21-5-4-19-47(49)48-20-6-7-22-50(48)56(51)35-43/h1-36H
InChIKeyUBOSDBJWIDYIJW-UHFFFAOYSA-N
MW821.08 g/mol
LogP18.22
Rot. Bonds5

About 3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene

3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene (PubChem CID 134507763) has the molecular formula C60H36S2 and a molecular weight of 821.08 g/mol. Its IUPAC name is 3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene.

Molecular Properties

Compound Name3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
PubChem CID134507763
Molecular FormulaC60H36S2
Molecular Weight821.08 g/mol
Exact Mass820.23
IUPAC Name3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-c2cccc3c2sc2c(-c4cccc(-c5cccc(-c6ccc7c(c6)sc6c(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cccc67)c5)c4)cccc23)cc1
InChIInChI=1S/C60H36S2/c1-2-13-37(14-3-1)44-23-10-27-54-55-28-12-24-45(60(55)62-59(44)54)42-18-9-17-40(34-42)38-15-8-16-39(33-38)41-29-32-52-53-26-11-25-46(58(53)61-57(52)36-41)43-30-31-51-49-21-5-4-19-47(49)48-20-6-7-22-50(48)56(51)35-43/h1-36H
InChIKeyUBOSDBJWIDYIJW-UHFFFAOYSA-N
XLogP18.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 518.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
3-(4-triphenylen-2-yldibenzothiophen-2-yl)-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 134492219
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
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
4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene
CID 146655582
CID 159617411
CID 159617411
4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952
2-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]-4-triphenylen-2-yldibenzothiophene
CID 166739913
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene
CID 155102375
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene?
The IUPAC name of 3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene (CID 134507763) is 3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene.
What is the SMILES notation for 3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene?
The canonical SMILES for 3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene is c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5cccc(-c6ccc7c(c6)sc6c(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cccc67)c5)c4)cccc23)cc1.
What is the InChIKey of 3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene?
The InChIKey is UBOSDBJWIDYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36S2/c1-2-13-37(14-3-1)44-23-10-27-54-55-28-12-24-45(60(55)62-59(44)54)42-18-9-17-40(34-42)38-15-8-16-39(33-38)41-29-32-52-53-26-11-25-46(58(53)61-57(52)36-41)43-30-31-51-49-21-5-4-19-47(49)48-20-6-7-22-50(48)56(51)35-43/h1-36H.
What are the key properties of 3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene?
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene has a molecular weight of 821.08 g/mol, XLogP of 18.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene is sourced from PubChem (CID 134507763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).