6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide

C32H25N4O4P — CID 58372171

IUPAC6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(c2c3c(cc4c2OCN(c2ccccn2)C4)OCN(c2cccnc2)C3)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C32H25N4O4P/c37-41(29-12-4-2-10-25(29)24-9-1-3-11-27(24)40-41)32-26-19-35(23-8-7-14-33-17-23)20-38-28(26)16-22-18-36(21-39-31(22)32)30-13-5-6-15-34-30/h1-17H,18-21H2
InChIKeyPQJNGDQSHUFKQI-UHFFFAOYSA-N
MW560.55 g/mol
LogP5.48
Rot. Bonds3

About 6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide

6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 58372171) has the molecular formula C32H25N4O4P and a molecular weight of 560.55 g/mol. Its IUPAC name is 6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID58372171
Molecular FormulaC32H25N4O4P
Molecular Weight560.55 g/mol
Exact Mass560.16
IUPAC Name6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(c2c3c(cc4c2OCN(c2ccccn2)C4)OCN(c2cccnc2)C3)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C32H25N4O4P/c37-41(29-12-4-2-10-25(29)24-9-1-3-11-27(24)40-41)32-26-19-35(23-8-7-14-33-17-23)20-38-28(26)16-22-18-36(21-39-31(22)32)30-13-5-6-15-34-30/h1-17H,18-21H2
InChIKeyPQJNGDQSHUFKQI-UHFFFAOYSA-N
XLogP5.48
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.55
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide (CID 58372171) is 6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide is O=P1(c2c3c(cc4c2OCN(c2ccccn2)C4)OCN(c2cccnc2)C3)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is PQJNGDQSHUFKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N4O4P/c37-41(29-12-4-2-10-25(29)24-9-1-3-11-27(24)40-41)32-26-19-35(23-8-7-14-33-17-23)20-38-28(26)16-22-18-36(21-39-31(22)32)30-13-5-6-15-34-30/h1-17H,18-21H2.
What are the key properties of 6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 560.55 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyridin-2-yl-8-pyridin-3-yl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazin-10-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 58372171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).