4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene

C56H36S — CID 58261884

IUPAC4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
SMILESc1ccc(-c2cccc(-c3ccc4c(-c5ccccc5)c5cc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)ccc5c(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C56H36S/c1-4-15-37(16-5-1)40-21-12-22-41(33-40)43-29-31-48-51(35-43)54(38-17-6-2-7-18-38)49-32-30-44(36-52(49)55(48)39-19-8-3-9-20-39)42-23-13-24-45(34-42)46-26-14-27-50-47-25-10-11-28-53(47)57-56(46)50/h1-36H
InChIKeyGUOWPCSMYTWWRJ-UHFFFAOYSA-N
MW740.97 g/mol
LogP16.36
Rot. Bonds6

About 4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene

4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene (PubChem CID 58261884) has the molecular formula C56H36S and a molecular weight of 740.97 g/mol. Its IUPAC name is 4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
PubChem CID58261884
Molecular FormulaC56H36S
Molecular Weight740.97 g/mol
Exact Mass740.25
IUPAC Name4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
SMILESc1ccc(-c2cccc(-c3ccc4c(-c5ccccc5)c5cc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)ccc5c(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C56H36S/c1-4-15-37(16-5-1)40-21-12-22-41(33-40)43-29-31-48-51(35-43)54(38-17-6-2-7-18-38)49-32-30-44(36-52(49)55(48)39-19-8-3-9-20-39)42-23-13-24-45(34-42)46-26-14-27-50-47-25-10-11-28-53(47)57-56(46)50/h1-36H
InChIKeyGUOWPCSMYTWWRJ-UHFFFAOYSA-N
XLogP16.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.97
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
CID 58323249
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenyldibenzothiophene
CID 58261967
N-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
CID 159617411
CID 159617411
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064173
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
The IUPAC name of 4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene (CID 58261884) is 4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene is c1ccc(-c2cccc(-c3ccc4c(-c5ccccc5)c5cc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)ccc5c(-c5ccccc5)c4c3)c2)cc1.
What is the InChIKey of 4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
The InChIKey is GUOWPCSMYTWWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36S/c1-4-15-37(16-5-1)40-21-12-22-41(33-40)43-29-31-48-51(35-43)54(38-17-6-2-7-18-38)49-32-30-44(36-52(49)55(48)39-19-8-3-9-20-39)42-23-13-24-45(34-42)46-26-14-27-50-47-25-10-11-28-53(47)57-56(46)50/h1-36H.
What are the key properties of 4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene has a molecular weight of 740.97 g/mol, XLogP of 16.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene is sourced from PubChem (CID 58261884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).