2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan

C60H38O2S2 — CID 156552865

IUPAC2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan
SMILESc1ccc(-c2oc(-c3cccc(-c4ccc(-c5coc(-c6ccccc6)c5-c5sc(-c6ccccc6)c6ccccc56)cc4)c3)cc2-c2sc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C60H38O2S2/c1-5-18-41(19-6-1)55-51(59-49-30-15-13-28-47(49)57(63-59)43-22-9-3-10-23-43)37-53(62-55)46-27-17-26-45(36-46)39-32-34-40(35-33-39)52-38-61-56(42-20-7-2-8-21-42)54(52)60-50-31-16-14-29-48(50)58(64-60)44-24-11-4-12-25-44/h1-38H
InChIKeyVFLDGXLZPCHFTN-UHFFFAOYSA-N
MW855.10 g/mol
LogP18.31
Rot. Bonds9

About 2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan

2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan (PubChem CID 156552865) has the molecular formula C60H38O2S2 and a molecular weight of 855.10 g/mol. Its IUPAC name is 2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan.

Molecular Properties

Compound Name2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan
PubChem CID156552865
Molecular FormulaC60H38O2S2
Molecular Weight855.10 g/mol
Exact Mass854.23
IUPAC Name2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan
SMILESc1ccc(-c2oc(-c3cccc(-c4ccc(-c5coc(-c6ccccc6)c5-c5sc(-c6ccccc6)c6ccccc56)cc4)c3)cc2-c2sc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C60H38O2S2/c1-5-18-41(19-6-1)55-51(59-49-30-15-13-28-47(49)57(63-59)43-22-9-3-10-23-43)37-53(62-55)46-27-17-26-45(36-46)39-32-34-40(35-33-39)52-38-61-56(42-20-7-2-8-21-42)54(52)60-50-31-16-14-29-48(50)58(64-60)44-24-11-4-12-25-44/h1-38H
InChIKeyVFLDGXLZPCHFTN-UHFFFAOYSA-N
XLogP18.31
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.10
LogP ≤ 518.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553110
5-(3-fluorophenyl)-2,3-diphenylfuran
CID 177412332
1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553641
2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156553232
1-(4-phenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553324
1-(2,4-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(2,5-diphenylfuran-3-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylfuran-2-yl)-3-phenyl-2-benzofuran;1-(3,5-diphenylthiophen-2-yl)-3-phenyl-2-benzofuran;2-phenyl-4-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]-1,3-oxazole
CID 161044211
1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene
CID 156553677
9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole
CID 156552774
1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene
CID 156552741
1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
CID 156553370
1-(2,6-diphenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553113
1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
CID 156552708

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan?
The IUPAC name of 2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan (CID 156552865) is 2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan.
What is the SMILES notation for 2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan?
The canonical SMILES for 2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan is c1ccc(-c2oc(-c3cccc(-c4ccc(-c5coc(-c6ccccc6)c5-c5sc(-c6ccccc6)c6ccccc56)cc4)c3)cc2-c2sc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan?
The InChIKey is VFLDGXLZPCHFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38O2S2/c1-5-18-41(19-6-1)55-51(59-49-30-15-13-28-47(49)57(63-59)43-22-9-3-10-23-43)37-53(62-55)46-27-17-26-45(36-46)39-32-34-40(35-33-39)52-38-61-56(42-20-7-2-8-21-42)54(52)60-50-31-16-14-29-48(50)58(64-60)44-24-11-4-12-25-44/h1-38H.
What are the key properties of 2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan?
2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan has a molecular weight of 855.10 g/mol, XLogP of 18.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-4-[4-[3-[5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)furan-2-yl]phenyl]phenyl]furan is sourced from PubChem (CID 156552865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).