5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole

C25H25NO — CID 91237329

IUPAC5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole
SMILESc1cc2cc(-c3ccc4c(c3)CC3(O4)C4CC5CC(C4)CC3C5)ccc2[nH]1
InChIInChI=1S/C25H25NO/c1-3-23-19(5-6-26-23)12-17(1)18-2-4-24-20(13-18)14-25(27-24)21-8-15-7-16(10-21)11-22(25)9-15/h1-6,12-13,15-16,21-22,26H,7-11,14H2
InChIKeyPYDDTBLXOQWZHO-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.96
Rot. Bonds1

About 5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole

5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole (PubChem CID 91237329) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole.

Molecular Properties

Compound Name5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole
PubChem CID91237329
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole
SMILESc1cc2cc(-c3ccc4c(c3)CC3(O4)C4CC5CC(C4)CC3C5)ccc2[nH]1
InChIInChI=1S/C25H25NO/c1-3-23-19(5-6-26-23)12-17(1)18-2-4-24-20(13-18)14-25(27-24)21-8-15-7-16(10-21)11-22(25)9-15/h1-6,12-13,15-16,21-22,26H,7-11,14H2
InChIKeyPYDDTBLXOQWZHO-UHFFFAOYSA-N
XLogP5.96
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole?
The IUPAC name of 5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole (CID 91237329) is 5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole.
What is the SMILES notation for 5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole?
The canonical SMILES for 5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole is c1cc2cc(-c3ccc4c(c3)CC3(O4)C4CC5CC(C4)CC3C5)ccc2[nH]1.
What is the InChIKey of 5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole?
The InChIKey is PYDDTBLXOQWZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-3-23-19(5-6-26-23)12-17(1)18-2-4-24-20(13-18)14-25(27-24)21-8-15-7-16(10-21)11-22(25)9-15/h1-6,12-13,15-16,21-22,26H,7-11,14H2.
What are the key properties of 5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole?
5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole has a molecular weight of 355.48 g/mol, XLogP of 5.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-spiro[3H-1-benzofuran-2,2'-adamantane]-5-yl-1H-indole is sourced from PubChem (CID 91237329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).