2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole

C26H18N2OS — CID 90755845

IUPAC2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
SMILESc1c[nH]c(-c2c(-c3cc4ccccc4[nH]3)ccc(-c3cccs3)c2-c2ccco2)c1
InChIInChI=1S/C26H18N2OS/c1-2-7-20-17(6-1)16-22(28-20)18-11-12-19(24-10-5-15-30-24)26(23-9-4-14-29-23)25(18)21-8-3-13-27-21/h1-16,27-28H
InChIKeyUDLLHAXCTBUDIR-UHFFFAOYSA-N
MW406.51 g/mol
LogP7.82
Rot. Bonds4

About 2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole

2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole (PubChem CID 90755845) has the molecular formula C26H18N2OS and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
PubChem CID90755845
Molecular FormulaC26H18N2OS
Molecular Weight406.51 g/mol
Exact Mass406.11
IUPAC Name2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
SMILESc1c[nH]c(-c2c(-c3cc4ccccc4[nH]3)ccc(-c3cccs3)c2-c2ccco2)c1
InChIInChI=1S/C26H18N2OS/c1-2-7-20-17(6-1)16-22(28-20)18-11-12-19(24-10-5-15-30-24)26(23-9-4-14-29-23)25(18)21-8-3-13-27-21/h1-16,27-28H
InChIKeyUDLLHAXCTBUDIR-UHFFFAOYSA-N
XLogP7.82
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647567
5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin-3-yl)-3-(thiophen-2-yl)indolin-2-one
CID 45482466
(9Z)-9-[(5-methoxy-1H-indol-3-yl)methylidene]benzo[f][1]benzothiol-4-one
CID 16099000
3-[furan-2-yl(1H-indol-3-yl)methyl]-1H-indole
CID 11370382
6-(1H-indol-6-yl)-2-thiophen-3-ylchromen-4-one
CID 44202181
(2Z)-5-(1H-indol-6-yl)-2-(thiophen-3-ylmethylidene)-1-benzofuran-3-one
CID 44202182
3-[(E)-furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride
CID 164626612
4-[5-[(5-methoxy-1H-indol-3-yl)methyl]-3,6-dihydro-2H-pyridin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 18940856
3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole
CID 139394506
3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride
CID 157298070
3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole
CID 169426402
3-(5-fluoro-1H-indol-3-yl)-1-(furan-2-ylmethyl)-2-oxothieno[2,3-b][1,4]thiazine-6-carboxamide
CID 176235094

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole?
The IUPAC name of 2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole (CID 90755845) is 2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole.
What is the SMILES notation for 2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole?
The canonical SMILES for 2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole is c1c[nH]c(-c2c(-c3cc4ccccc4[nH]3)ccc(-c3cccs3)c2-c2ccco2)c1.
What is the InChIKey of 2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole?
The InChIKey is UDLLHAXCTBUDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2OS/c1-2-7-20-17(6-1)16-22(28-20)18-11-12-19(24-10-5-15-30-24)26(23-9-4-14-29-23)25(18)21-8-3-13-27-21/h1-16,27-28H.
What are the key properties of 2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole?
2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole has a molecular weight of 406.51 g/mol, XLogP of 7.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole is sourced from PubChem (CID 90755845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).