5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol

C25H21N2O2P — CID 153499099

IUPAC5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol
SMILESCCCP1(=O)c2ccc(-c3cccc(-c4ccccn4)c3)nc2-c2c(O)cccc21
InChIInChI=1S/C25H21N2O2P/c1-2-15-30(29)22-11-6-10-21(28)24(22)25-23(30)13-12-20(27-25)18-8-5-7-17(16-18)19-9-3-4-14-26-19/h3-14,16,28H,2,15H2,1H3
InChIKeyQMAPDSFJELPEKC-UHFFFAOYSA-N
MW412.43 g/mol
LogP5.22
Rot. Bonds4

About 5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol

5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol (PubChem CID 153499099) has the molecular formula C25H21N2O2P and a molecular weight of 412.43 g/mol. Its IUPAC name is 5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol.

Molecular Properties

Compound Name5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol
PubChem CID153499099
Molecular FormulaC25H21N2O2P
Molecular Weight412.43 g/mol
Exact Mass412.13
IUPAC Name5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol
SMILESCCCP1(=O)c2ccc(-c3cccc(-c4ccccn4)c3)nc2-c2c(O)cccc21
InChIInChI=1S/C25H21N2O2P/c1-2-15-30(29)22-11-6-10-21(28)24(22)25-23(30)13-12-20(27-25)18-8-5-7-17(16-18)19-9-3-4-14-26-19/h3-14,16,28H,2,15H2,1H3
InChIKeyQMAPDSFJELPEKC-UHFFFAOYSA-N
XLogP5.22
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
N-phenyl-5,5-dipropyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-amine
CID 153499217
2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434537
2-[3-(4-ethylphenyl)phenyl]pyridine
CID 151780746
2-(5,5-dipropyl-8-pyridin-2-yl-[1]benzogermolo[3,2-b]pyridin-2-yl)phenol
CID 153499183
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol
CID 58058931
2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
CID 140586014
tributyl-(3-pyridin-2-ylphenyl)azanium
CID 59782074
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,3-diol
CID 136711024

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol?
The IUPAC name of 5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol (CID 153499099) is 5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol.
What is the SMILES notation for 5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol?
The canonical SMILES for 5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol is CCCP1(=O)c2ccc(-c3cccc(-c4ccccn4)c3)nc2-c2c(O)cccc21.
What is the InChIKey of 5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol?
The InChIKey is QMAPDSFJELPEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N2O2P/c1-2-15-30(29)22-11-6-10-21(28)24(22)25-23(30)13-12-20(27-25)18-8-5-7-17(16-18)19-9-3-4-14-26-19/h3-14,16,28H,2,15H2,1H3.
What are the key properties of 5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol?
5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol has a molecular weight of 412.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-propyl-2-(3-pyridin-2-ylphenyl)phosphindolo[3,2-b]pyridin-9-ol is sourced from PubChem (CID 153499099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).