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

C138H93N3O3S9 — CID 158829380

IUPAC2-[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
SMILESc1ccc(-c2cc[nH]c2-c2cc(-c3[nH]ccc3-c3ccccc3)cc(-c3[nH]ccc3-c3ccccc3)c2)cc1.c1ccc(-c2ccoc2-c2cc(-c3occc3-c3ccccc3)cc(-c3occc3-c3ccccc3)c2)cc1.c1ccc(-c2ccsc2-c2cc(-c3sccc3-c3ccccc3)cc(-c3sccc3-c3ccccc3)c2)cc1.c1csc(-c2ccsc2-c2cc(-c3sccc3-c3cccs3)cc(-c3sccc3-c3cccs3)c2)c1
InChIInChI=1S/C36H27N3.C36H24O3.C36H24S3.C30H18S6/c3*1-4-10-25(11-5-1)31-16-19-37-34(31)28-22-29(35-32(17-20-38-35)26-12-6-2-7-13-26)24-30(23-28)36-33(18-21-39-36)27-14-8-3-9-15-27;1-4-25(31-10-1)22-7-13-34-28(22)19-16-20(29-23(8-14-35-29)26-5-2-11-32-26)18-21(17-19)30-24(9-15-36-30)27-6-3-12-33-27/h1-24,37-39H;2*1-24H;1-18H
InChIKeyIWVWARHXHFERHO-UHFFFAOYSA-N
MW2129.88 g/mol
LogP44.07
Rot. Bonds24

About 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

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 (PubChem CID 158829380) has the molecular formula C138H93N3O3S9 and a molecular weight of 2129.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158829380
Molecular FormulaC138H93N3O3S9
Molecular Weight2129.88 g/mol
Exact Mass2127.47
IUPAC Name2-[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
SMILESc1ccc(-c2cc[nH]c2-c2cc(-c3[nH]ccc3-c3ccccc3)cc(-c3[nH]ccc3-c3ccccc3)c2)cc1.c1ccc(-c2ccoc2-c2cc(-c3occc3-c3ccccc3)cc(-c3occc3-c3ccccc3)c2)cc1.c1ccc(-c2ccsc2-c2cc(-c3sccc3-c3ccccc3)cc(-c3sccc3-c3ccccc3)c2)cc1.c1csc(-c2ccsc2-c2cc(-c3sccc3-c3cccs3)cc(-c3sccc3-c3cccs3)c2)c1
InChIInChI=1S/C36H27N3.C36H24O3.C36H24S3.C30H18S6/c3*1-4-10-25(11-5-1)31-16-19-37-34(31)28-22-29(35-32(17-20-38-35)26-12-6-2-7-13-26)24-30(23-28)36-33(18-21-39-36)27-14-8-3-9-15-27;1-4-25(31-10-1)22-7-13-34-28(22)19-16-20(29-23(8-14-35-29)26-5-2-11-32-26)18-21(17-19)30-24(9-15-36-30)27-6-3-12-33-27/h1-24,37-39H;2*1-24H;1-18H
InChIKeyIWVWARHXHFERHO-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 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 with MolForge

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Related Compounds

2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1H-indole;2H-isoindole
CID 69494068
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
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole
CID 141050660
2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole
CID 141287363
3-[5-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,2-thiazole
CID 141347789
bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane
CID 157371707
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
4,17,30-Triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1(28),2(14),3(7),5,8,10,12,15(27),16(20),18,21,23,25,29(33),31,34,36,38-octadecaene;4,17,30-trioxadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1(28),2(14),3(7),5,8,10,12,15(27),16(20),18,21,23,25,29(33),31,34,36,38-octadecaene;4,17,30-trithiadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1(28),2(14),3(7),5,8,10,12,15(27),16(20),18,21,23,25,29(33),31,34,36,38-octadecaene
CID 157480112

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 158829380) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc[nH]c2-c2cc(-c3[nH]ccc3-c3ccccc3)cc(-c3[nH]ccc3-c3ccccc3)c2)cc1.c1ccc(-c2ccoc2-c2cc(-c3occc3-c3ccccc3)cc(-c3occc3-c3ccccc3)c2)cc1.c1ccc(-c2ccsc2-c2cc(-c3sccc3-c3ccccc3)cc(-c3sccc3-c3ccccc3)c2)cc1.c1csc(-c2ccsc2-c2cc(-c3sccc3-c3cccs3)cc(-c3sccc3-c3cccs3)c2)c1.
What is the InChIKey of 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?
The InChIKey is IWVWARHXHFERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3.C36H24O3.C36H24S3.C30H18S6/c3*1-4-10-25(11-5-1)31-16-19-37-34(31)28-22-29(35-32(17-20-38-35)26-12-6-2-7-13-26)24-30(23-28)36-33(18-21-39-36)27-14-8-3-9-15-27;1-4-25(31-10-1)22-7-13-34-28(22)19-16-20(29-23(8-14-35-29)26-5-2-11-32-26)18-21(17-19)30-24(9-15-36-30)27-6-3-12-33-27/h1-24,37-39H;2*1-24H;1-18H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 158829380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).