2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole

C48H28N2O2S2 — CID 141186218

IUPAC2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole
SMILESc1ccc2oc(-c3ccc4c(-c5cc6ccccc6s5)sc(-c5[nH]cc6ccccc56)c4c3-c3c(-c4cc5ccccc5o4)[nH]c4ccccc34)cc2c1
InChIInChI=1S/C48H28N2O2S2/c1-5-15-31-30(14-1)26-49-45(31)48-44-34(47(54-48)41-25-29-13-4-10-20-40(29)53-41)22-21-33(38-23-27-11-2-8-18-36(27)51-38)42(44)43-32-16-6-7-17-35(32)50-46(43)39-24-28-12-3-9-19-37(28)52-39/h1-26,49-50H
InChIKeyVHWVXGANUUOQEW-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.91
Rot. Bonds5

About 2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole

2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole (PubChem CID 141186218) has the molecular formula C48H28N2O2S2 and a molecular weight of 728.90 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole
PubChem CID141186218
Molecular FormulaC48H28N2O2S2
Molecular Weight728.90 g/mol
Exact Mass728.16
IUPAC Name2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole
SMILESc1ccc2oc(-c3ccc4c(-c5cc6ccccc6s5)sc(-c5[nH]cc6ccccc56)c4c3-c3c(-c4cc5ccccc5o4)[nH]c4ccccc34)cc2c1
InChIInChI=1S/C48H28N2O2S2/c1-5-15-31-30(14-1)26-49-45(31)48-44-34(47(54-48)41-25-29-13-4-10-20-40(29)53-41)22-21-33(38-23-27-11-2-8-18-36(27)51-38)42(44)43-32-16-6-7-17-35(32)50-46(43)39-24-28-12-3-9-19-37(28)52-39/h1-26,49-50H
InChIKeyVHWVXGANUUOQEW-UHFFFAOYSA-N
XLogP14.91
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 514.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole with MolForge

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Related Compounds

2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
2-[3-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-7-(1H-inden-1-yl)-4-(1H-indol-2-yl)quinolin-6-yl]-1,3-oxazole
CID 53651180
9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319
N-(2-Methyl-3-{2-[4-(pyrrolidin-1-ylcarbonyl)phenyl]furo[3,2-b]pyridin-7-yl}phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 66779332
N-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-[1]benzofuro[2,3-a]carbazol-3-amine
CID 68016319
9-[2-Carbazol-9-yl-8-(4-carbazol-9-yldibenzothiophen-2-yl)-1,2-dihydrodibenzofuran-4-yl]carbazole
CID 69286037
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1H-indole;2H-isoindole
CID 69494068
(2S)-1-[[5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 69917753
6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 87766443
1-[10-([1]Benzothiolo[2,3-c]pyridin-1-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 88857597
1-[4-[10-[4-([1]Benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 88857602
9-[8-[5-(8-Dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole
CID 89433865

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole (CID 141186218) is 2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole is c1ccc2oc(-c3ccc4c(-c5cc6ccccc6s5)sc(-c5[nH]cc6ccccc56)c4c3-c3c(-c4cc5ccccc5o4)[nH]c4ccccc34)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole?
The InChIKey is VHWVXGANUUOQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2S2/c1-5-15-31-30(14-1)26-49-45(31)48-44-34(47(54-48)41-25-29-13-4-10-20-40(29)53-41)22-21-33(38-23-27-11-2-8-18-36(27)51-38)42(44)43-32-16-6-7-17-35(32)50-46(43)39-24-28-12-3-9-19-37(28)52-39/h1-26,49-50H.
What are the key properties of 2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole?
2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole has a molecular weight of 728.90 g/mol, XLogP of 14.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole is sourced from PubChem (CID 141186218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).