[3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone

C137H115N5O17S5 — CID 159555909

IUPAC[3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone
SMILESCC.CC.CC.CC.CC.Nc1cc[nH]c1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1.Nc1cocc1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1.O=C(c1ccccc1)c1sc2cc(O)ccc2c1-c1ccc(-c2[nH]ccc2O)cc1.O=COc1cc[nH]c1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1.O=COc1cocc1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1
InChIInChI=1S/C26H17NO4S.C26H16O5S.C25H18N2O2S.2C25H17NO3S.5C2H6/c28-15-31-21-12-13-27-24(21)17-8-6-16(7-9-17)23-20-11-10-19(29)14-22(20)32-26(23)25(30)18-4-2-1-3-5-18;27-15-31-22-14-30-13-21(22)16-6-8-17(9-7-16)24-20-11-10-19(28)12-23(20)32-26(24)25(29)18-4-2-1-3-5-18;26-20-12-13-27-23(20)16-8-6-15(7-9-16)22-19-11-10-18(28)14-21(19)30-25(22)24(29)17-4-2-1-3-5-17;26-21-14-29-13-20(21)15-6-8-16(9-7-15)23-19-11-10-18(27)12-22(19)30-25(23)24(28)17-4-2-1-3-5-17;27-18-10-11-19-21(14-18)30-25(24(29)17-4-2-1-3-5-17)22(19)15-6-8-16(9-7-15)23-20(28)12-13-26-23;5*1-2/h1-15,27,29H;1-15,28H;1-14,27-28H,26H2;1-14,27H,26H2;1-14,26-28H;5*1-2H3
InChIKeyMFZHTICMRGZNMC-UHFFFAOYSA-N
MW2263.78 g/mol
LogP36.10
Rot. Bonds24

About [3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone

[3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone (PubChem CID 159555909) has the molecular formula C137H115N5O17S5 and a molecular weight of 2263.78 g/mol. Its IUPAC name is [3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone
PubChem CID159555909
Molecular FormulaC137H115N5O17S5
Molecular Weight2263.78 g/mol
Exact Mass2261.69
IUPAC Name[3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone
SMILESCC.CC.CC.CC.CC.Nc1cc[nH]c1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1.Nc1cocc1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1.O=C(c1ccccc1)c1sc2cc(O)ccc2c1-c1ccc(-c2[nH]ccc2O)cc1.O=COc1cc[nH]c1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1.O=COc1cocc1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1
InChIInChI=1S/C26H17NO4S.C26H16O5S.C25H18N2O2S.2C25H17NO3S.5C2H6/c28-15-31-21-12-13-27-24(21)17-8-6-16(7-9-17)23-20-11-10-19(29)14-22(20)32-26(23)25(30)18-4-2-1-3-5-18;27-15-31-22-14-30-13-21(22)16-6-8-17(9-7-16)24-20-11-10-19(28)12-23(20)32-26(24)25(29)18-4-2-1-3-5-18;26-20-12-13-27-23(20)16-8-6-15(7-9-16)22-19-11-10-18(28)14-21(19)30-25(22)24(29)17-4-2-1-3-5-17;26-21-14-29-13-20(21)15-6-8-16(9-7-15)23-19-11-10-18(27)12-22(19)30-25(23)24(28)17-4-2-1-3-5-17;27-18-10-11-19-21(14-18)30-25(24(29)17-4-2-1-3-5-17)22(19)15-6-8-16(9-7-15)23-20(28)12-13-26-23;5*1-2/h1-15,27,29H;1-15,28H;1-14,27-28H,26H2;1-14,27H,26H2;1-14,26-28H;5*1-2H3
InChIKeyMFZHTICMRGZNMC-UHFFFAOYSA-N
XLogP36.10
TPSA385.02 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002263.78
LogP ≤ 536.10
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze [3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone?
The IUPAC name of [3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone (CID 159555909) is [3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone?
The canonical SMILES for [3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone is CC.CC.CC.CC.CC.Nc1cc[nH]c1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1.Nc1cocc1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1.O=C(c1ccccc1)c1sc2cc(O)ccc2c1-c1ccc(-c2[nH]ccc2O)cc1.O=COc1cc[nH]c1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1.O=COc1cocc1-c1ccc(-c2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1.
What is the InChIKey of [3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone?
The InChIKey is MFZHTICMRGZNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO4S.C26H16O5S.C25H18N2O2S.2C25H17NO3S.5C2H6/c28-15-31-21-12-13-27-24(21)17-8-6-16(7-9-17)23-20-11-10-19(29)14-22(20)32-26(23)25(30)18-4-2-1-3-5-18;27-15-31-22-14-30-13-21(22)16-6-8-17(9-7-16)24-20-11-10-19(28)12-23(20)32-26(24)25(29)18-4-2-1-3-5-18;26-20-12-13-27-23(20)16-8-6-15(7-9-16)22-19-11-10-18(28)14-21(19)30-25(22)24(29)17-4-2-1-3-5-17;26-21-14-29-13-20(21)15-6-8-16(9-7-15)23-19-11-10-18(27)12-22(19)30-25(23)24(28)17-4-2-1-3-5-17;27-18-10-11-19-21(14-18)30-25(24(29)17-4-2-1-3-5-17)22(19)15-6-8-16(9-7-15)23-20(28)12-13-26-23;5*1-2/h1-15,27,29H;1-15,28H;1-14,27-28H,26H2;1-14,27H,26H2;1-14,26-28H;5*1-2H3.
What are the key properties of [3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone?
[3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone has a molecular weight of 2263.78 g/mol, XLogP of 36.10, 24 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[3-[4-(3-amino-1H-pyrrol-2-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone;[4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]furan-3-yl] formate;[2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1H-pyrrol-3-yl] formate;ethane;[6-hydroxy-3-[4-(3-hydroxy-1H-pyrrol-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 159555909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).