3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene

C138H93N3O3S9 — CID 158057926

IUPAC3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene
SMILESc1ccc(-c2c[nH]cc2-c2cc(-c3c[nH]cc3-c3ccccc3)cc(-c3c[nH]cc3-c3ccccc3)c2)cc1.c1ccc(-c2cocc2-c2cc(-c3cocc3-c3ccccc3)cc(-c3cocc3-c3ccccc3)c2)cc1.c1ccc(-c2cscc2-c2cc(-c3cscc3-c3ccccc3)cc(-c3cscc3-c3ccccc3)c2)cc1.c1csc(-c2cscc2-c2cc(-c3cscc3-c3cccs3)cc(-c3cscc3-c3cccs3)c2)c1
InChIInChI=1S/C36H27N3.C36H24O3.C36H24S3.C30H18S6/c3*1-4-10-25(11-5-1)31-19-37-22-34(31)28-16-29(35-23-38-20-32(35)26-12-6-2-7-13-26)18-30(17-28)36-24-39-21-33(36)27-14-8-3-9-15-27;1-4-28(34-7-1)25-16-31-13-22(25)19-10-20(23-14-32-17-26(23)29-5-2-8-35-29)12-21(11-19)24-15-33-18-27(24)30-6-3-9-36-30/h1-24,37-39H;2*1-24H;1-18H
InChIKeyFKHHRIXHUHOZJJ-UHFFFAOYSA-N
MW2129.88 g/mol
LogP44.07
Rot. Bonds24

About 3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene

3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene (PubChem CID 158057926) has the molecular formula C138H93N3O3S9 and a molecular weight of 2129.88 g/mol. Its IUPAC name is 3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene
PubChem CID158057926
Molecular FormulaC138H93N3O3S9
Molecular Weight2129.88 g/mol
Exact Mass2127.47
IUPAC Name3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene
SMILESc1ccc(-c2c[nH]cc2-c2cc(-c3c[nH]cc3-c3ccccc3)cc(-c3c[nH]cc3-c3ccccc3)c2)cc1.c1ccc(-c2cocc2-c2cc(-c3cocc3-c3ccccc3)cc(-c3cocc3-c3ccccc3)c2)cc1.c1ccc(-c2cscc2-c2cc(-c3cscc3-c3ccccc3)cc(-c3cscc3-c3ccccc3)c2)cc1.c1csc(-c2cscc2-c2cc(-c3cscc3-c3cccs3)cc(-c3cscc3-c3cccs3)c2)c1
InChIInChI=1S/C36H27N3.C36H24O3.C36H24S3.C30H18S6/c3*1-4-10-25(11-5-1)31-19-37-22-34(31)28-16-29(35-23-38-20-32(35)26-12-6-2-7-13-26)18-30(17-28)36-24-39-21-33(36)27-14-8-3-9-15-27;1-4-28(34-7-1)25-16-31-13-22(25)19-10-20(23-14-32-17-26(23)29-5-2-8-35-29)12-21(11-19)24-15-33-18-27(24)30-6-3-9-36-30/h1-24,37-39H;2*1-24H;1-18H
InChIKeyFKHHRIXHUHOZJJ-UHFFFAOYSA-N
XLogP44.07
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002129.88
LogP ≤ 544.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene with MolForge

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Related Compounds

1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene
CID 157377545
3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylbutane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane
CID 157396888
benzene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;furan;1H-indole;2H-isoindole;naphthalene;1H-pyrrole;thiophene
CID 157421849
2-[4-[3,5-bis[4-(furan-2-yl)thiophen-3-yl]phenyl]thiophen-3-yl]furan;1-[4-[3,5-bis(4-pyrrol-1-ylthiophen-3-yl)phenyl]thiophen-3-yl]pyrrole;2-[4-[3,5-bis[4-(1H-pyrrol-2-yl)thiophen-3-yl]phenyl]thiophen-3-yl]-1H-pyrrole;3-[3,5-bis(4-thiophen-3-ylthiophen-3-yl)phenyl]-4-thiophen-3-ylthiophene
CID 157582055
bis(2,4-dimethylfuran);bis(2,4-dimethyl-1H-pyrrole);bis(2,4-dimethylthiophene);1,3-xylene
CID 157715550
benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene
CID 158007994
2-[2-[3,5-bis[3-(furan-2-yl)thiophen-2-yl]phenyl]thiophen-3-yl]furan;2-[3,5-bis(3-phenylfuran-2-yl)phenyl]-3-phenylfuran;2-[3,5-bis(3-phenyl-1H-pyrrol-2-yl)phenyl]-3-phenyl-1H-pyrrole;2-[3,5-bis(3-phenylthiophen-2-yl)phenyl]-3-phenylthiophene;2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-thiophen-2-ylthiophene
CID 158279309
2-(3,5-dimethyl-4-nitrophenyl)thiophene;ethane;2-(4-hexylsulfanylphenyl)furan;2-(4-hexylsulfanylphenyl)-1H-pyrrole;2-(4-methylsulfanylphenyl)-1H-pyrrole;2-phenylthiophene
CID 158358408
benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene
CID 158396263
2-(2-methylpropyl)-3-propan-2-ylfuran;3-(2-methylpropyl)-2-propan-2-ylfuran;3-(2-methylpropyl)-4-propan-2-ylfuran;4-(2-methylpropyl)-5-propan-2-yl-2H-pyran;5-(2-methylpropyl)-4-propan-2-yl-2H-pyran;5-(2-methylpropyl)-6-propan-2-yl-2H-pyran;6-(2-methylpropyl)-5-propan-2-yl-2H-pyran;2-(2-methylpropyl)-3-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-2-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-4-propan-2-yl-1H-pyrrole;2-(2-methylpropyl)-3-propan-2-ylthiophene;3-(2-methylpropyl)-2-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-yl-2H-thiopyran;4-(2-methylpropyl)-3-propan-2-yl-2H-thiopyran;5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran;6-(2-methylpropyl)-5-propan-2-yl-2H-thiopyran
CID 158443467
5,18,31-Triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,3,6,8,10,12,14,16,19,21,23,25,27,29,32,34,36,38-octadecaene;5,18,31-trioxadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,3,6,8,10,12,14,16,19,21,23,25,27,29,32,34,36,38-octadecaene;5,18,31-trithiadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,3,6,8,10,12,14,16,19,21,23,25,27,29,32,34,36,38-octadecaene
CID 158719278

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene?
The IUPAC name of 3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene (CID 158057926) is 3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene.
What is the SMILES notation for 3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene?
The canonical SMILES for 3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene is c1ccc(-c2c[nH]cc2-c2cc(-c3c[nH]cc3-c3ccccc3)cc(-c3c[nH]cc3-c3ccccc3)c2)cc1.c1ccc(-c2cocc2-c2cc(-c3cocc3-c3ccccc3)cc(-c3cocc3-c3ccccc3)c2)cc1.c1ccc(-c2cscc2-c2cc(-c3cscc3-c3ccccc3)cc(-c3cscc3-c3ccccc3)c2)cc1.c1csc(-c2cscc2-c2cc(-c3cscc3-c3cccs3)cc(-c3cscc3-c3cccs3)c2)c1.
What is the InChIKey of 3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene?
The InChIKey is FKHHRIXHUHOZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3.C36H24O3.C36H24S3.C30H18S6/c3*1-4-10-25(11-5-1)31-19-37-22-34(31)28-16-29(35-23-38-20-32(35)26-12-6-2-7-13-26)18-30(17-28)36-24-39-21-33(36)27-14-8-3-9-15-27;1-4-28(34-7-1)25-16-31-13-22(25)19-10-20(23-14-32-17-26(23)29-5-2-8-35-29)12-21(11-19)24-15-33-18-27(24)30-6-3-9-36-30/h1-24,37-39H;2*1-24H;1-18H.
What are the key properties of 3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene?
3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene has a molecular weight of 2129.88 g/mol, XLogP of 44.07, 24 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(4-phenylfuran-3-yl)phenyl]-4-phenylfuran;3-[3,5-bis(4-phenyl-1H-pyrrol-3-yl)phenyl]-4-phenyl-1H-pyrrole;3-[3,5-bis(4-phenylthiophen-3-yl)phenyl]-4-phenylthiophene;3-[3,5-bis(4-thiophen-2-ylthiophen-3-yl)phenyl]-4-thiophen-2-ylthiophene is sourced from PubChem (CID 158057926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).