4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole

C24H15NO2 — CID 123311574

IUPAC4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole
SMILESc1cc(-c2ccc(-c3cccc4[nH]ccc34)c3occc23)c2occc2c1
InChIInChI=1S/C24H15NO2/c1-3-15-10-13-26-23(15)19(5-1)17-7-8-20(24-21(17)11-14-27-24)16-4-2-6-22-18(16)9-12-25-22/h1-14,25H
InChIKeyBWFTTZNBTYCHCJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP6.99
Rot. Bonds2

About 4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole

4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole (PubChem CID 123311574) has the molecular formula C24H15NO2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole
PubChem CID123311574
Molecular FormulaC24H15NO2
Molecular Weight349.39 g/mol
Exact Mass349.11
IUPAC Name4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole
SMILESc1cc(-c2ccc(-c3cccc4[nH]ccc34)c3occc23)c2occc2c1
InChIInChI=1S/C24H15NO2/c1-3-15-10-13-26-23(15)19(5-1)17-7-8-20(24-21(17)11-14-27-24)16-4-2-6-22-18(16)9-12-25-22/h1-14,25H
InChIKeyBWFTTZNBTYCHCJ-UHFFFAOYSA-N
XLogP6.99
TPSA42.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.39
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-2-yl)pyridin-3-yl}isoquinoline
CID 23647572
furan-2-yl(1H-indol-3-yl)methanone
CID 958611
3-(furan-3-yl)-1H-indole
CID 10607518
6-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11486099
3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11164277
3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11165409
7-ethyl-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11165510
5-fluoro-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11176778
5-fluoro-3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11188108
5-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)propyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11223424
6-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)propyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11235095
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-5-fluoro-1H-indole
CID 11245340

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole?
The IUPAC name of 4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole (CID 123311574) is 4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole.
What is the SMILES notation for 4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole?
The canonical SMILES for 4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole is c1cc(-c2ccc(-c3cccc4[nH]ccc34)c3occc23)c2occc2c1.
What is the InChIKey of 4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole?
The InChIKey is BWFTTZNBTYCHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO2/c1-3-15-10-13-26-23(15)19(5-1)17-7-8-20(24-21(17)11-14-27-24)16-4-2-6-22-18(16)9-12-25-22/h1-14,25H.
What are the key properties of 4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole?
4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole has a molecular weight of 349.39 g/mol, XLogP of 6.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzofuran-7-yl)-1-benzofuran-7-yl]-1H-indole is sourced from PubChem (CID 123311574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).