2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole

C53H30N2O2S2 — CID 141072112

IUPAC2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole
SMILESc1ccc(-c2c(-c3cc4ccccc4s3)c(-c3cc4ccccc4o3)c3sc4c(-c5cc6ccccc6[nH]5)cccc4c3c2-c2cccc3oc4ccccc4c23)nc1
InChIInChI=1S/C53H30N2O2S2/c1-5-20-37-30(13-1)27-39(55-37)33-17-11-19-36-48-47(35-18-12-24-42-46(35)34-16-4-7-23-41(34)57-42)49(38-21-9-10-26-54-38)51(45-29-32-15-3-8-25-44(32)58-45)50(53(48)59-52(33)36)43-28-31-14-2-6-22-40(31)56-43/h1-29,55H
InChIKeySZPFWTXYTLEOMD-UHFFFAOYSA-N
MW790.97 g/mol
LogP16.13
Rot. Bonds5

About 2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole

2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole (PubChem CID 141072112) has the molecular formula C53H30N2O2S2 and a molecular weight of 790.97 g/mol. Its IUPAC name is 2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole.

Molecular Properties

Compound Name2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole
PubChem CID141072112
Molecular FormulaC53H30N2O2S2
Molecular Weight790.97 g/mol
Exact Mass790.17
IUPAC Name2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole
SMILESc1ccc(-c2c(-c3cc4ccccc4s3)c(-c3cc4ccccc4o3)c3sc4c(-c5cc6ccccc6[nH]5)cccc4c3c2-c2cccc3oc4ccccc4c23)nc1
InChIInChI=1S/C53H30N2O2S2/c1-5-20-37-30(13-1)27-39(55-37)33-17-11-19-36-48-47(35-18-12-24-42-46(35)34-16-4-7-23-41(34)57-42)49(38-21-9-10-26-54-38)51(45-29-32-15-3-8-25-44(32)58-45)50(53(48)59-52(33)36)43-28-31-14-2-6-22-40(31)56-43/h1-29,55H
InChIKeySZPFWTXYTLEOMD-UHFFFAOYSA-N
XLogP16.13
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 516.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole with MolForge

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Related Compounds

[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 88351418
2-(3-Fluoronaphthalen-1-yl)-6-(7-phenyldibenzofuran-1-yl)-4-(7-pyridin-3-yldibenzothiophen-2-yl)-1,4-dihydro-1,3,5-triazine
CID 138519292
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
8-[8-(8-Phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544120
2-[2-[8-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]phenyl]pyridine
CID 57958225
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268
9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319
4-Dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine
CID 58050216
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
9-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
CID 58501544
9-Dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 58501567
2-(8-Pyridin-3-yldibenzothiophen-2-yl)-6-[8-(3-pyridin-3-ylphenyl)dibenzofuran-2-yl]pyridine
CID 58501569

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole?
The IUPAC name of 2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole (CID 141072112) is 2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole.
What is the SMILES notation for 2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole?
The canonical SMILES for 2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole is c1ccc(-c2c(-c3cc4ccccc4s3)c(-c3cc4ccccc4o3)c3sc4c(-c5cc6ccccc6[nH]5)cccc4c3c2-c2cccc3oc4ccccc4c23)nc1.
What is the InChIKey of 2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole?
The InChIKey is SZPFWTXYTLEOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N2O2S2/c1-5-20-37-30(13-1)27-39(55-37)33-17-11-19-36-48-47(35-18-12-24-42-46(35)34-16-4-7-23-41(34)57-42)49(38-21-9-10-26-54-38)51(45-29-32-15-3-8-25-44(32)58-45)50(53(48)59-52(33)36)43-28-31-14-2-6-22-40(31)56-43/h1-29,55H.
What are the key properties of 2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole?
2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole has a molecular weight of 790.97 g/mol, XLogP of 16.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-9-dibenzofuran-1-yl-8-pyridin-2-yldibenzothiophen-4-yl]-1H-indole is sourced from PubChem (CID 141072112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).