3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole

C22H17N3 — CID 2907031

IUPAC3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole
SMILESc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)nc1
InChIInChI=1S/C22H17N3/c1-3-9-19-15(7-1)17(13-24-19)22(21-11-5-6-12-23-21)18-14-25-20-10-4-2-8-16(18)20/h1-14,22,24-25H
InChIKeyBQCKTHQCKBPILA-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.22
Rot. Bonds3

About 3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole

3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole (PubChem CID 2907031) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole
PubChem CID2907031
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole
SMILESc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)nc1
InChIInChI=1S/C22H17N3/c1-3-9-19-15(7-1)17(13-24-19)22(21-11-5-6-12-23-21)18-14-25-20-10-4-2-8-16(18)20/h1-14,22,24-25H
InChIKeyBQCKTHQCKBPILA-UHFFFAOYSA-N
XLogP5.22
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole?
The IUPAC name of 3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole (CID 2907031) is 3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole?
The canonical SMILES for 3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole is c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)nc1.
What is the InChIKey of 3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole?
The InChIKey is BQCKTHQCKBPILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-3-9-19-15(7-1)17(13-24-19)22(21-11-5-6-12-23-21)18-14-25-20-10-4-2-8-16(18)20/h1-14,22,24-25H.
What are the key properties of 3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole?
3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole has a molecular weight of 323.40 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl(pyridin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 2907031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).