5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole

C29H19NOS — CID 58461820

IUPAC5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole
SMILESCn1ccc2cc(-c3ccc4oc5ccc(-c6cc7ccccc7s6)cc5c4c3)ccc21
InChIInChI=1S/C29H19NOS/c1-30-13-12-20-14-18(6-9-25(20)30)19-7-10-26-23(15-19)24-16-22(8-11-27(24)31-26)29-17-21-4-2-3-5-28(21)32-29/h2-17H,1H3
InChIKeyORBSXPHEAGXCBK-UHFFFAOYSA-N
MW429.54 g/mol
LogP8.63
Rot. Bonds2

About 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole

5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole (PubChem CID 58461820) has the molecular formula C29H19NOS and a molecular weight of 429.54 g/mol. Its IUPAC name is 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole.

Molecular Properties

Compound Name5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole
PubChem CID58461820
Molecular FormulaC29H19NOS
Molecular Weight429.54 g/mol
Exact Mass429.12
IUPAC Name5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole
SMILESCn1ccc2cc(-c3ccc4oc5ccc(-c6cc7ccccc7s6)cc5c4c3)ccc21
InChIInChI=1S/C29H19NOS/c1-30-13-12-20-14-18(6-9-25(20)30)19-7-10-26-23(15-19)24-16-22(8-11-27(24)31-26)29-17-21-4-2-3-5-28(21)32-29/h2-17H,1H3
InChIKeyORBSXPHEAGXCBK-UHFFFAOYSA-N
XLogP8.63
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole?
The IUPAC name of 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole (CID 58461820) is 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole.
What is the SMILES notation for 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole?
The canonical SMILES for 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole is Cn1ccc2cc(-c3ccc4oc5ccc(-c6cc7ccccc7s6)cc5c4c3)ccc21.
What is the InChIKey of 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole?
The InChIKey is ORBSXPHEAGXCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NOS/c1-30-13-12-20-14-18(6-9-25(20)30)19-7-10-26-23(15-19)24-16-22(8-11-27(24)31-26)29-17-21-4-2-3-5-28(21)32-29/h2-17H,1H3.
What are the key properties of 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole?
5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole has a molecular weight of 429.54 g/mol, XLogP of 8.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole is sourced from PubChem (CID 58461820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).