6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene

C70H46S2 — CID 58898587

IUPAC6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c(-c7ccccc7)c(-c7ccccc7)sc6c5)c4)c3)cc(-c3cccc(-c4cccc5c(-c6ccccc6)c(-c6ccccc6)sc45)c3)c2)cc1
InChIInChI=1S/C70H46S2/c1-6-20-47(21-7-1)59-43-60(45-61(44-59)56-34-18-35-58(42-56)62-36-19-37-64-67(49-24-10-3-11-25-49)69(72-70(62)64)51-28-14-5-15-29-51)55-33-17-31-53(41-55)52-30-16-32-54(40-52)57-38-39-63-65(46-57)71-68(50-26-12-4-13-27-50)66(63)48-22-8-2-9-23-48/h1-46H
InChIKeyDCJQARFRDMAQBW-UHFFFAOYSA-N
MW951.27 g/mol
LogP20.79
Rot. Bonds10

About 6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene

6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene (PubChem CID 58898587) has the molecular formula C70H46S2 and a molecular weight of 951.27 g/mol. Its IUPAC name is 6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene.

Molecular Properties

Compound Name6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene
PubChem CID58898587
Molecular FormulaC70H46S2
Molecular Weight951.27 g/mol
Exact Mass950.30
IUPAC Name6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c(-c7ccccc7)c(-c7ccccc7)sc6c5)c4)c3)cc(-c3cccc(-c4cccc5c(-c6ccccc6)c(-c6ccccc6)sc45)c3)c2)cc1
InChIInChI=1S/C70H46S2/c1-6-20-47(21-7-1)59-43-60(45-61(44-59)56-34-18-35-58(42-56)62-36-19-37-64-67(49-24-10-3-11-25-49)69(72-70(62)64)51-28-14-5-15-29-51)55-33-17-31-53(41-55)52-30-16-32-54(40-52)57-38-39-63-65(46-57)71-68(50-26-12-4-13-27-50)66(63)48-22-8-2-9-23-48/h1-46H
InChIKeyDCJQARFRDMAQBW-UHFFFAOYSA-N
XLogP20.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.27
LogP ≤ 520.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene with MolForge

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Related Compounds

4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
3,7-diphenyl-2,6-bis(4-phenylphenyl)thieno[2,3-f][1]benzothiole
CID 126653606
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
6-(9,10-diphenylanthracen-2-yl)-2,3-bis(4-methylphenyl)-1-benzothiophene
CID 59012338
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenyldibenzothiophene
CID 58261967
8-(10-naphthalen-1-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[2,3-g][1]benzothiole
CID 176744379
2,3-diphenyl-6-(3-phenylphenyl)thieno[3,2-c]pyridine
CID 155626281
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
3-chloro-6-(3-phenylphenyl)dibenzothiophene
CID 176630456
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
3-(4-triphenylen-2-yldibenzothiophen-2-yl)-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 134492219

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene?
The IUPAC name of 6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene (CID 58898587) is 6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene.
What is the SMILES notation for 6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene?
The canonical SMILES for 6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c(-c7ccccc7)c(-c7ccccc7)sc6c5)c4)c3)cc(-c3cccc(-c4cccc5c(-c6ccccc6)c(-c6ccccc6)sc45)c3)c2)cc1.
What is the InChIKey of 6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene?
The InChIKey is DCJQARFRDMAQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46S2/c1-6-20-47(21-7-1)59-43-60(45-61(44-59)56-34-18-35-58(42-56)62-36-19-37-64-67(49-24-10-3-11-25-49)69(72-70(62)64)51-28-14-5-15-29-51)55-33-17-31-53(41-55)52-30-16-32-54(40-52)57-38-39-63-65(46-57)71-68(50-26-12-4-13-27-50)66(63)48-22-8-2-9-23-48/h1-46H.
What are the key properties of 6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene?
6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene has a molecular weight of 951.27 g/mol, XLogP of 20.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-[3-[3-(2,3-diphenyl-1-benzothiophen-7-yl)phenyl]-5-phenylphenyl]phenyl]phenyl]-2,3-diphenyl-1-benzothiophene is sourced from PubChem (CID 58898587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).