2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine

C23H16NO3P — CID 140807977

IUPAC2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine
SMILESc1ccc(-c2cccc(Op3oc4ccccc4c4ccccc4o3)n2)cc1
InChIInChI=1S/C23H16NO3P/c1-2-9-17(10-3-1)20-13-8-16-23(24-20)27-28-25-21-14-6-4-11-18(21)19-12-5-7-15-22(19)26-28/h1-16H
InChIKeyJJXWYPACFXIRHI-UHFFFAOYSA-N
MW385.36 g/mol
LogP7.19
Rot. Bonds3

About 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine

2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine (PubChem CID 140807977) has the molecular formula C23H16NO3P and a molecular weight of 385.36 g/mol. Its IUPAC name is 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine.

Molecular Properties

Compound Name2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine
PubChem CID140807977
Molecular FormulaC23H16NO3P
Molecular Weight385.36 g/mol
Exact Mass385.09
IUPAC Name2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine
SMILESc1ccc(-c2cccc(Op3oc4ccccc4c4ccccc4o3)n2)cc1
InChIInChI=1S/C23H16NO3P/c1-2-9-17(10-3-1)20-13-8-16-23(24-20)27-28-25-21-14-6-4-11-18(21)19-12-5-7-15-22(19)26-28/h1-16H
InChIKeyJJXWYPACFXIRHI-UHFFFAOYSA-N
XLogP7.19
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.36
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine
CID 14637273
2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine
CID 170670772
bis(6-phenyl-2-pyridinyl) sulfite
CID 58871012
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine
CID 148581506
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
2-phenyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 135043638
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081

Frequently Asked Questions

What is the IUPAC name of 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine?
The IUPAC name of 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine (CID 140807977) is 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine.
What is the SMILES notation for 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine?
The canonical SMILES for 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine is c1ccc(-c2cccc(Op3oc4ccccc4c4ccccc4o3)n2)cc1.
What is the InChIKey of 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine?
The InChIKey is JJXWYPACFXIRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16NO3P/c1-2-9-17(10-3-1)20-13-8-16-23(24-20)27-28-25-21-14-6-4-11-18(21)19-12-5-7-15-22(19)26-28/h1-16H.
What are the key properties of 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine?
2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine has a molecular weight of 385.36 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine is sourced from PubChem (CID 140807977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).