3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione

C30H20NO4P — CID 139222180

IUPAC3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione
SMILESO=C1Nc2c(c(=O)oc3ccccc23)C(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H20NO4P/c32-27-25-26(23-18-10-11-19-24(23)35-30(25)34)31-29(33)28(27)36(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H,31,33)
InChIKeyQTKWYUZVVKGFEA-UHFFFAOYSA-N
MW489.47 g/mol
LogP4.09
Rot. Bonds3

About 3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione

3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione (PubChem CID 139222180) has the molecular formula C30H20NO4P and a molecular weight of 489.47 g/mol. Its IUPAC name is 3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione.

Molecular Properties

Compound Name3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione
PubChem CID139222180
Molecular FormulaC30H20NO4P
Molecular Weight489.47 g/mol
Exact Mass489.11
IUPAC Name3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione
SMILESO=C1Nc2c(c(=O)oc3ccccc23)C(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H20NO4P/c32-27-25-26(23-18-10-11-19-24(23)35-30(25)34)31-29(33)28(27)36(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H,31,33)
InChIKeyQTKWYUZVVKGFEA-UHFFFAOYSA-N
XLogP4.09
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-phenylchromen-2-one
CID 617040
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
3-phenyl-4-(2H-triazol-4-yl)chromen-2-one
CID 154181703
1,2-dihydrochromeno[4,3-b]pyridin-5-one
CID 146170101
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556
13H-chromeno[4,3-b][1,5]benzodiazepin-6-one
CID 899296
4-anilino-3-phenylchromen-2-one
CID 2785512
2-oxo-3-phenylchromene-4-carboxamide
CID 168655029
2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
CID 86000557
3-phenyl-4-phenylmethoxychromen-2-one
CID 70697167
2,10-dioxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,16,18,20-octaene-11,15,22-trione
CID 25232688
7,8-dihydrochromeno[3,4-c]isoquinolin-6-one
CID 24756332

Frequently Asked Questions

What is the IUPAC name of 3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione?
The IUPAC name of 3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione (CID 139222180) is 3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione.
What is the SMILES notation for 3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione?
The canonical SMILES for 3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione is O=C1Nc2c(c(=O)oc3ccccc23)C(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione?
The InChIKey is QTKWYUZVVKGFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20NO4P/c32-27-25-26(23-18-10-11-19-24(23)35-30(25)34)31-29(33)28(27)36(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H,31,33).
What are the key properties of 3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione?
3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione has a molecular weight of 489.47 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione is sourced from PubChem (CID 139222180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).