3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one

C30H21N3O2 — CID 151827814

IUPAC3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(-c2ccccc2Oc2cc3ccccc3[nH]2)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C30H21N3O2/c34-30-25(18-22(26-14-8-9-17-31-26)20-33(30)23-11-2-1-3-12-23)24-13-5-7-16-28(24)35-29-19-21-10-4-6-15-27(21)32-29/h1-20,32H
InChIKeySDZXAYPJVXRHSK-UHFFFAOYSA-N
MW455.52 g/mol
LogP6.84
Rot. Bonds5

About 3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one

3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one (PubChem CID 151827814) has the molecular formula C30H21N3O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one
PubChem CID151827814
Molecular FormulaC30H21N3O2
Molecular Weight455.52 g/mol
Exact Mass455.16
IUPAC Name3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(-c2ccccc2Oc2cc3ccccc3[nH]2)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C30H21N3O2/c34-30-25(18-22(26-14-8-9-17-31-26)20-33(30)23-11-2-1-3-12-23)24-13-5-7-16-28(24)35-29-19-21-10-4-6-15-27(21)32-29/h1-20,32H
InChIKeySDZXAYPJVXRHSK-UHFFFAOYSA-N
XLogP6.84
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The IUPAC name of 3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one (CID 151827814) is 3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one is O=c1c(-c2ccccc2Oc2cc3ccccc3[nH]2)cc(-c2ccccn2)cn1-c1ccccc1.
What is the InChIKey of 3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The InChIKey is SDZXAYPJVXRHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O2/c34-30-25(18-22(26-14-8-9-17-31-26)20-33(30)23-11-2-1-3-12-23)24-13-5-7-16-28(24)35-29-19-21-10-4-6-15-27(21)32-29/h1-20,32H.
What are the key properties of 3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one?
3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one has a molecular weight of 455.52 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-2-yloxy)phenyl]-1-phenyl-5-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 151827814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).