1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole

C138H99N15O3S3 — CID 159468087

IUPAC1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole
SMILESc1cc(-c2cc[nH]c2)n(-c2cc(-n3cccc3-c3cc[nH]c3)cc(-n3cccc3-c3cc[nH]c3)c2)c1.c1cc(-c2ccoc2)n(-c2cc(-n3cccc3-c3ccoc3)cc(-n3cccc3-c3ccoc3)c2)c1.c1cc(-c2ccsc2)n(-c2cc(-n3cccc3-c3ccsc3)cc(-n3cccc3-c3ccsc3)c2)c1.c1ccc2cc(-c3cccn3-c3cc(-n4cccc4-c4ccc5ccccc5c4)cc(-n4cccc4-c4ccc5ccccc5c4)c3)ccc2c1
InChIInChI=1S/C48H33N3.C30H24N6.C30H21N3O3.C30H21N3S3/c1-4-13-37-28-40(22-19-34(37)10-1)46-16-7-25-49(46)43-31-44(50-26-8-17-47(50)41-23-20-35-11-2-5-14-38(35)29-41)33-45(32-43)51-27-9-18-48(51)42-24-21-36-12-3-6-15-39(36)30-42;1-4-28(22-7-10-31-19-22)34(13-1)25-16-26(35-14-2-5-29(35)23-8-11-32-20-23)18-27(17-25)36-15-3-6-30(36)24-9-12-33-21-24;2*1-4-28(22-7-13-34-19-22)31(10-1)25-16-26(32-11-2-5-29(32)23-8-14-35-20-23)18-27(17-25)33-12-3-6-30(33)24-9-15-36-21-24/h1-33H;1-21,31-33H;2*1-21H
InChIKeyLVLFYNULYKDHHW-UHFFFAOYSA-N
MW2111.61 g/mol
LogP36.65
Rot. Bonds24

About 1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole

1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole (PubChem CID 159468087) has the molecular formula C138H99N15O3S3 and a molecular weight of 2111.61 g/mol. Its IUPAC name is 1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole.

Molecular Properties

Compound Name1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole
PubChem CID159468087
Molecular FormulaC138H99N15O3S3
Molecular Weight2111.61 g/mol
Exact Mass2109.72
IUPAC Name1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole
SMILESc1cc(-c2cc[nH]c2)n(-c2cc(-n3cccc3-c3cc[nH]c3)cc(-n3cccc3-c3cc[nH]c3)c2)c1.c1cc(-c2ccoc2)n(-c2cc(-n3cccc3-c3ccoc3)cc(-n3cccc3-c3ccoc3)c2)c1.c1cc(-c2ccsc2)n(-c2cc(-n3cccc3-c3ccsc3)cc(-n3cccc3-c3ccsc3)c2)c1.c1ccc2cc(-c3cccn3-c3cc(-n4cccc4-c4ccc5ccccc5c4)cc(-n4cccc4-c4ccc5ccccc5c4)c3)ccc2c1
InChIInChI=1S/C48H33N3.C30H24N6.C30H21N3O3.C30H21N3S3/c1-4-13-37-28-40(22-19-34(37)10-1)46-16-7-25-49(46)43-31-44(50-26-8-17-47(50)41-23-20-35-11-2-5-14-38(35)29-41)33-45(32-43)51-27-9-18-48(51)42-24-21-36-12-3-6-15-39(36)30-42;1-4-28(22-7-10-31-19-22)34(13-1)25-16-26(35-14-2-5-29(35)23-8-11-32-20-23)18-27(17-25)36-15-3-6-30(36)24-9-12-33-21-24;2*1-4-28(22-7-13-34-19-22)31(10-1)25-16-26(32-11-2-5-29(32)23-8-14-35-20-23)18-27(17-25)33-12-3-6-30(33)24-9-15-36-21-24/h1-33H;1-21,31-33H;2*1-21H
InChIKeyLVLFYNULYKDHHW-UHFFFAOYSA-N
XLogP36.65
TPSA145.95 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002111.61
LogP ≤ 536.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole with MolForge

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Related Compounds

2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 123289308
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
1-anthracen-1-yl-4-(furan-2-yl)-4-naphthalen-1-yl-5-naphthalen-2-yl-2-phenanthren-1-yl-5-(3-phenyl-1H-pyrrol-2-yl)-3-thiophen-2-yltriazolidine
CID 140985956
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
5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-6-(1-benzothiophen-2-yl)-3-(2-benzothiophen-1-yl)-1-indolizin-1-yl-2H-isoindole
CID 141360527
9,23-bis(furan-2-yl)-4-propan-2-yl-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;4-propan-2-yl-9,23-bis(1H-pyrrol-2-yl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;4-propan-2-yl-9,23-di(selenophen-2-yl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;4-propan-2-yl-9,23-di(tellurophen-2-yl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;4-propan-2-yl-9,23-dithiophen-2-yl-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione
CID 157315100
1,9-dimethyl-2H-carbazol-2-ide;2,9-dimethyl-3H-carbazol-3-ide;1,2-dimethyl-3H-indol-3-ide;tetradecakis(iridium);2-methyl-1H-acenaphthylen-1-ide;6-methyl-5H-chrysen-5-ide;3-methyl-2H-dibenzofuran-2-ide;3-methyl-2H-dibenzothiophen-2-ide;2-methyl-3,9-dihydrocarbazol-3-ide;2-methyl-3,9-dihydrofluoren-3-ide;1-methyl-2,4-diphenylbenzene-6-ide;2-methylindol-1-ide;1-methyl-4-phenylbenzene-6-ide;1-methyl-4-(4-phenylphenyl)benzene-6-ide;2-methylpyrrol-1-ide
CID 157333284
(2S)-N-[(2S)-1-[(2S)-2-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S)-3,3-dimethyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(1H-pyrrol-2-ylmethylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
CID 157339470
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157342503
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
benzene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;furan;1H-indole;2H-isoindole;naphthalene;1H-pyrrole;thiophene
CID 157421849

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole?
The IUPAC name of 1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole (CID 159468087) is 1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole.
What is the SMILES notation for 1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole?
The canonical SMILES for 1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole is c1cc(-c2cc[nH]c2)n(-c2cc(-n3cccc3-c3cc[nH]c3)cc(-n3cccc3-c3cc[nH]c3)c2)c1.c1cc(-c2ccoc2)n(-c2cc(-n3cccc3-c3ccoc3)cc(-n3cccc3-c3ccoc3)c2)c1.c1cc(-c2ccsc2)n(-c2cc(-n3cccc3-c3ccsc3)cc(-n3cccc3-c3ccsc3)c2)c1.c1ccc2cc(-c3cccn3-c3cc(-n4cccc4-c4ccc5ccccc5c4)cc(-n4cccc4-c4ccc5ccccc5c4)c3)ccc2c1.
What is the InChIKey of 1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole?
The InChIKey is LVLFYNULYKDHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3.C30H24N6.C30H21N3O3.C30H21N3S3/c1-4-13-37-28-40(22-19-34(37)10-1)46-16-7-25-49(46)43-31-44(50-26-8-17-47(50)41-23-20-35-11-2-5-14-38(35)29-41)33-45(32-43)51-27-9-18-48(51)42-24-21-36-12-3-6-15-39(36)30-42;1-4-28(22-7-10-31-19-22)34(13-1)25-16-26(35-14-2-5-29(35)23-8-11-32-20-23)18-27(17-25)36-15-3-6-30(36)24-9-12-33-21-24;2*1-4-28(22-7-13-34-19-22)31(10-1)25-16-26(32-11-2-5-29(32)23-8-14-35-20-23)18-27(17-25)33-12-3-6-30(33)24-9-15-36-21-24/h1-33H;1-21,31-33H;2*1-21H.
What are the key properties of 1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole?
1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole has a molecular weight of 2111.61 g/mol, XLogP of 36.65, 24 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[2-(furan-3-yl)pyrrol-1-yl]phenyl]-2-(furan-3-yl)pyrrole;1-[3,5-bis(2-naphthalen-2-ylpyrrol-1-yl)phenyl]-2-naphthalen-2-ylpyrrole;1-[3,5-bis[2-(1H-pyrrol-3-yl)pyrrol-1-yl]phenyl]-2-(1H-pyrrol-3-yl)pyrrole;1-[3,5-bis(2-thiophen-3-ylpyrrol-1-yl)phenyl]-2-thiophen-3-ylpyrrole is sourced from PubChem (CID 159468087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).