5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole

C39H24N2O2S2 — CID 141272278

IUPAC5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)CC(c1cc3sc(-c4cc5ccccc5[nH]4)nc3c(-c3cc4ccccc4s3)c1-c1cc3ccccc3o1)O2
InChIInChI=1S/C39H24N2O2S2/c1-5-13-27-22(9-1)17-28(40-27)39-41-38-35(45-39)21-26(31-18-23-10-2-6-14-29(23)42-31)36(32-19-24-11-3-7-15-30(24)43-32)37(38)34-20-25-12-4-8-16-33(25)44-34/h1-17,19-21,31,40H,18H2
InChIKeyXPCJUENHANHPRF-UHFFFAOYSA-N
MW616.77 g/mol
LogP11.42
Rot. Bonds4

About 5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole

5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole (PubChem CID 141272278) has the molecular formula C39H24N2O2S2 and a molecular weight of 616.77 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole
PubChem CID141272278
Molecular FormulaC39H24N2O2S2
Molecular Weight616.77 g/mol
Exact Mass616.13
IUPAC Name5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)CC(c1cc3sc(-c4cc5ccccc5[nH]4)nc3c(-c3cc4ccccc4s3)c1-c1cc3ccccc3o1)O2
InChIInChI=1S/C39H24N2O2S2/c1-5-13-27-22(9-1)17-28(40-27)39-41-38-35(45-39)21-26(31-18-23-10-2-6-14-29(23)42-31)36(32-19-24-11-3-7-15-30(24)43-32)37(38)34-20-25-12-4-8-16-33(25)44-34/h1-17,19-21,31,40H,18H2
InChIKeyXPCJUENHANHPRF-UHFFFAOYSA-N
XLogP11.42
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 511.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole with MolForge

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Related Compounds

11-[4-[2-[2,4,6-Tris(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 135252636
5-[5-[5-[4-(3-fluoro-5-propan-2-yl-1H-indol-2-yl)-4-methylpentan-2-yl]-1-benzofuran-2-yl]hexan-2-yl]-2-propan-2-yl-1,3-benzothiazole
CID 166938226
2,7-Bis[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314020
2,7-Bis[5-(5-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314036
2,7-Bis[4-fluoro-5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314115
2,7-Bis[5-(1-benzofuran-2-yl)-4-fluorothiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314211
2,7-Bis[4-fluoro-5-(5-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314283
2,7-Bis[4-(6-fluoro-1-benzofuran-2-yl)phenyl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314311
9-[8-[8-(8-Carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 57958224
12-Phenyl-3,8-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 57997487
3-Dibenzothiophen-2-yl-9-[8-(3-dibenzothiophen-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 57997678
3-[6-Carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzothiophen-4-yl]-9-dibenzofuran-2-ylcarbazole
CID 58059124

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole?
The IUPAC name of 5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole (CID 141272278) is 5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole?
The canonical SMILES for 5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole is c1ccc2c(c1)CC(c1cc3sc(-c4cc5ccccc5[nH]4)nc3c(-c3cc4ccccc4s3)c1-c1cc3ccccc3o1)O2.
What is the InChIKey of 5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole?
The InChIKey is XPCJUENHANHPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2O2S2/c1-5-13-27-22(9-1)17-28(40-27)39-41-38-35(45-39)21-26(31-18-23-10-2-6-14-29(23)42-31)36(32-19-24-11-3-7-15-30(24)43-32)37(38)34-20-25-12-4-8-16-33(25)44-34/h1-17,19-21,31,40H,18H2.
What are the key properties of 5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole?
5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole has a molecular weight of 616.77 g/mol, XLogP of 11.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-indol-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 141272278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).