2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione

C28H19NO2 — CID 3869812

IUPAC2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione
SMILESO=C(CC(C(=O)c1ccccc1)=C1c2ccccc2-c2ncccc21)c1ccccc1
InChIInChI=1S/C28H19NO2/c30-25(19-10-3-1-4-11-19)18-24(28(31)20-12-5-2-6-13-20)26-21-14-7-8-15-22(21)27-23(26)16-9-17-29-27/h1-17H,18H2
InChIKeyDXTFXQKEQHMRMB-UHFFFAOYSA-N
MW401.47 g/mol
LogP6.02
Rot. Bonds5

About 2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione

2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione (PubChem CID 3869812) has the molecular formula C28H19NO2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione.

Molecular Properties

Compound Name2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione
PubChem CID3869812
Molecular FormulaC28H19NO2
Molecular Weight401.47 g/mol
Exact Mass401.14
IUPAC Name2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione
SMILESO=C(CC(C(=O)c1ccccc1)=C1c2ccccc2-c2ncccc21)c1ccccc1
InChIInChI=1S/C28H19NO2/c30-25(19-10-3-1-4-11-19)18-24(28(31)20-12-5-2-6-13-20)26-21-14-7-8-15-22(21)27-23(26)16-9-17-29-27/h1-17H,18H2
InChIKeyDXTFXQKEQHMRMB-UHFFFAOYSA-N
XLogP6.02
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione?
The IUPAC name of 2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione (CID 3869812) is 2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione.
What is the SMILES notation for 2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione?
The canonical SMILES for 2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione is O=C(CC(C(=O)c1ccccc1)=C1c2ccccc2-c2ncccc21)c1ccccc1.
What is the InChIKey of 2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione?
The InChIKey is DXTFXQKEQHMRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO2/c30-25(19-10-3-1-4-11-19)18-24(28(31)20-12-5-2-6-13-20)26-21-14-7-8-15-22(21)27-23(26)16-9-17-29-27/h1-17H,18H2.
What are the key properties of 2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione?
2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione has a molecular weight of 401.47 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indeno[1,2-b]pyridin-5-ylidene-1,4-diphenylbutane-1,4-dione is sourced from PubChem (CID 3869812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).