4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole

C24H16N2OS — CID 140970255

IUPAC4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole
SMILESc1coc(-c2cccc3c(-c4cc5ccccc5[nH]4)[nH]c(-c4cccs4)c23)c1
InChIInChI=1S/C24H16N2OS/c1-2-9-18-15(6-1)14-19(25-18)23-17-8-3-7-16(20-10-4-12-27-20)22(17)24(26-23)21-11-5-13-28-21/h1-14,25-26H
InChIKeyUIIMBBGMSSSNQF-UHFFFAOYSA-N
MW380.47 g/mol
LogP7.30
Rot. Bonds3

About 4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole

4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole (PubChem CID 140970255) has the molecular formula C24H16N2OS and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole.

Molecular Properties

Compound Name4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole
PubChem CID140970255
Molecular FormulaC24H16N2OS
Molecular Weight380.47 g/mol
Exact Mass380.10
IUPAC Name4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole
SMILESc1coc(-c2cccc3c(-c4cc5ccccc5[nH]4)[nH]c(-c4cccs4)c23)c1
InChIInChI=1S/C24H16N2OS/c1-2-9-18-15(6-1)14-19(25-18)23-17-8-3-7-16(20-10-4-12-27-20)22(17)24(26-23)21-11-5-13-28-21/h1-14,25-26H
InChIKeyUIIMBBGMSSSNQF-UHFFFAOYSA-N
XLogP7.30
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Bis(1H-2-indolyl)methanone deriv. 55
CID 5330550
3-[(furan-2-yl)(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
CID 2944740
5-[2-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-yl-1H-indole
CID 9879628
2-[Bis(2-methylindol-3-yl)methyl]-5-methylfuran
CID 3945115
4-(furan-2-yl)-2-phenyl-1H-indole
CID 53254141
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
5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-1H-indole-2-carbaldehyde
CID 140090974
3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one
CID 161622470
2-Butyl-4-(2-furanyl)-1H-indole
CID 46915137
4-Indolylbenzofuran
CID 129827827
(4R)-4-(furan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 164683017
N-(furan-2-ylmethyl)-N-(2-(thiophen-2-yl)ethyl)-1H-indole-2-carboxamide
CID 72717875

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole?
The IUPAC name of 4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole (CID 140970255) is 4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole.
What is the SMILES notation for 4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole?
The canonical SMILES for 4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole is c1coc(-c2cccc3c(-c4cc5ccccc5[nH]4)[nH]c(-c4cccs4)c23)c1.
What is the InChIKey of 4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole?
The InChIKey is UIIMBBGMSSSNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2OS/c1-2-9-18-15(6-1)14-19(25-18)23-17-8-3-7-16(20-10-4-12-27-20)22(17)24(26-23)21-11-5-13-28-21/h1-14,25-26H.
What are the key properties of 4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole?
4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole has a molecular weight of 380.47 g/mol, XLogP of 7.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-(1H-indol-2-yl)-3-thiophen-2-yl-2H-isoindole is sourced from PubChem (CID 140970255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).