3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole

C24H18N2O2 — CID 4200841

IUPAC3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc2c(C(c3ccc4c(c3)OCO4)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C24H18N2O2/c1-3-7-20-16(5-1)18(12-25-20)24(15-9-10-22-23(11-15)28-14-27-22)19-13-26-21-8-4-2-6-17(19)21/h1-13,24-26H,14H2
InChIKeyWIBZMRRXTPDBLD-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.56
Rot. Bonds3

About 3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole

3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole (PubChem CID 4200841) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole
PubChem CID4200841
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc2c(C(c3ccc4c(c3)OCO4)c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C24H18N2O2/c1-3-7-20-16(5-1)18(12-25-20)24(15-9-10-22-23(11-15)28-14-27-22)19-13-26-21-8-4-2-6-17(19)21/h1-13,24-26H,14H2
InChIKeyWIBZMRRXTPDBLD-UHFFFAOYSA-N
XLogP5.56
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole (CID 4200841) is 3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole is c1ccc2c(C(c3ccc4c(c3)OCO4)c3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is WIBZMRRXTPDBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-3-7-20-16(5-1)18(12-25-20)24(15-9-10-22-23(11-15)28-14-27-22)19-13-26-21-8-4-2-6-17(19)21/h1-13,24-26H,14H2.
What are the key properties of 3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole?
3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 366.42 g/mol, XLogP of 5.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 4200841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).