4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene

C60H38S — CID 177115886

IUPAC4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
SMILESc1cc(-c2cccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)cc(-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)c1
InChIInChI=1S/C60H38S/c1-2-25-53-51(23-1)52-24-3-4-26-54(52)58-38-48(31-32-55(53)58)46-20-10-18-44(36-46)42-16-8-14-40(34-42)39-13-7-15-41(33-39)43-17-9-19-45(35-43)47-21-11-22-49(37-47)50-28-12-29-57-56-27-5-6-30-59(56)61-60(50)57/h1-38H
InChIKeyLDQHOEDYJSXKCO-UHFFFAOYSA-N
MW791.03 g/mol
LogP17.52
Rot. Bonds6

About 4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene

4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene (PubChem CID 177115886) has the molecular formula C60H38S and a molecular weight of 791.03 g/mol. Its IUPAC name is 4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
PubChem CID177115886
Molecular FormulaC60H38S
Molecular Weight791.03 g/mol
Exact Mass790.27
IUPAC Name4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
SMILESc1cc(-c2cccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)cc(-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)c1
InChIInChI=1S/C60H38S/c1-2-25-53-51(23-1)52-24-3-4-26-54(52)58-38-48(31-32-55(53)58)46-20-10-18-44(36-46)42-16-8-14-40(34-42)39-13-7-15-41(33-39)43-17-9-19-45(35-43)47-21-11-22-49(37-47)50-28-12-29-57-56-27-5-6-30-59(56)61-60(50)57/h1-38H
InChIKeyLDQHOEDYJSXKCO-UHFFFAOYSA-N
XLogP17.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.03
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257
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
CID 159617411
CID 159617411
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 177115829
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
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-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349921

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene?
The IUPAC name of 4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene (CID 177115886) is 4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene is c1cc(-c2cccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)cc(-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)c1.
What is the InChIKey of 4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene?
The InChIKey is LDQHOEDYJSXKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38S/c1-2-25-53-51(23-1)52-24-3-4-26-54(52)58-38-48(31-32-55(53)58)46-20-10-18-44(36-46)42-16-8-14-40(34-42)39-13-7-15-41(33-39)43-17-9-19-45(35-43)47-21-11-22-49(37-47)50-28-12-29-57-56-27-5-6-30-59(56)61-60(50)57/h1-38H.
What are the key properties of 4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene?
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene has a molecular weight of 791.03 g/mol, XLogP of 17.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene is sourced from PubChem (CID 177115886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).