5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol

C28H19N3O — CID 15047485

IUPAC5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol
SMILESOC1(c2cc(-c3ccccc3)nnc2-c2ccccc2)c2ccccc2-c2ncccc21
InChIInChI=1S/C28H19N3O/c32-28(22-15-8-7-14-21(22)27-23(28)16-9-17-29-27)24-18-25(19-10-3-1-4-11-19)30-31-26(24)20-12-5-2-6-13-20/h1-18,32H
InChIKeyIXZIUDHEQSLOFG-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.47
Rot. Bonds3

About 5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol

5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol (PubChem CID 15047485) has the molecular formula C28H19N3O and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol.

Molecular Properties

Compound Name5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol
PubChem CID15047485
Molecular FormulaC28H19N3O
Molecular Weight413.48 g/mol
Exact Mass413.15
IUPAC Name5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol
SMILESOC1(c2cc(-c3ccccc3)nnc2-c2ccccc2)c2ccccc2-c2ncccc21
InChIInChI=1S/C28H19N3O/c32-28(22-15-8-7-14-21(22)27-23(28)16-9-17-29-27)24-18-25(19-10-3-1-4-11-19)30-31-26(24)20-12-5-2-6-13-20/h1-18,32H
InChIKeyIXZIUDHEQSLOFG-UHFFFAOYSA-N
XLogP5.47
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol?
The IUPAC name of 5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol (CID 15047485) is 5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol.
What is the SMILES notation for 5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol?
The canonical SMILES for 5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol is OC1(c2cc(-c3ccccc3)nnc2-c2ccccc2)c2ccccc2-c2ncccc21.
What is the InChIKey of 5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol?
The InChIKey is IXZIUDHEQSLOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O/c32-28(22-15-8-7-14-21(22)27-23(28)16-9-17-29-27)24-18-25(19-10-3-1-4-11-19)30-31-26(24)20-12-5-2-6-13-20/h1-18,32H.
What are the key properties of 5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol?
5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol has a molecular weight of 413.48 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-diphenylpyridazin-4-yl)indeno[1,2-b]pyridin-5-ol is sourced from PubChem (CID 15047485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).