4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene

C78H46S2 — CID 146655582

IUPAC4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene
SMILESc1ccc(-c2cccc3c2sc2c(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C78H46S2/c1-2-17-47(18-3-1)52-28-14-31-68-69-32-16-33-70(78(69)80-77(52)68)74-44-49(48-35-39-63-58-23-6-4-19-54(58)56-21-8-10-25-60(56)72(63)43-48)36-40-65(74)62-41-37-50(53-29-15-30-67-66-27-12-13-34-75(66)79-76(53)67)45-71(62)51-38-42-64-59-24-7-5-20-55(59)57-22-9-11-26-61(57)73(64)46-51/h1-46H
InChIKeyUSBHNLGRIAOHRW-UHFFFAOYSA-N
MW1047.36 g/mol
LogP23.34
Rot. Bonds6

About 4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene

4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene (PubChem CID 146655582) has the molecular formula C78H46S2 and a molecular weight of 1047.36 g/mol. Its IUPAC name is 4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene.

Molecular Properties

Compound Name4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene
PubChem CID146655582
Molecular FormulaC78H46S2
Molecular Weight1047.36 g/mol
Exact Mass1046.30
IUPAC Name4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene
SMILESc1ccc(-c2cccc3c2sc2c(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C78H46S2/c1-2-17-47(18-3-1)52-28-14-31-68-69-32-16-33-70(78(69)80-77(52)68)74-44-49(48-35-39-63-58-23-6-4-19-54(58)56-21-8-10-25-60(56)72(63)43-48)36-40-65(74)62-41-37-50(53-29-15-30-67-66-27-12-13-34-75(66)79-76(53)67)45-71(62)51-38-42-64-59-24-7-5-20-55(59)57-22-9-11-26-61(57)73(64)46-51/h1-46H
InChIKeyUSBHNLGRIAOHRW-UHFFFAOYSA-N
XLogP23.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.36
LogP ≤ 523.34
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

2-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]-4-triphenylen-2-yldibenzothiophene
CID 166739913
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-[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
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
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene?
The IUPAC name of 4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene (CID 146655582) is 4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene.
What is the SMILES notation for 4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene?
The canonical SMILES for 4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene is c1ccc(-c2cccc3c2sc2c(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4-c4ccc(-c5cccc6c5sc5ccccc56)cc4-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)cc1.
What is the InChIKey of 4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene?
The InChIKey is USBHNLGRIAOHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46S2/c1-2-17-47(18-3-1)52-28-14-31-68-69-32-16-33-70(78(69)80-77(52)68)74-44-49(48-35-39-63-58-23-6-4-19-54(58)56-21-8-10-25-60(56)72(63)43-48)36-40-65(74)62-41-37-50(53-29-15-30-67-66-27-12-13-34-75(66)79-76(53)67)45-71(62)51-38-42-64-59-24-7-5-20-55(59)57-22-9-11-26-61(57)73(64)46-51/h1-46H.
What are the key properties of 4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene?
4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene has a molecular weight of 1047.36 g/mol, XLogP of 23.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene is sourced from PubChem (CID 146655582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).