1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione

C26H22NO6P — CID 134972541

IUPAC1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
SMILESCOP(=O)(OC)C12OC(c3ccccc3)(c3ccccc31)C1C(=O)N(c3ccccc3)C(=O)C12
InChIInChI=1S/C26H22NO6P/c1-31-34(30,32-2)26-20-16-10-9-15-19(20)25(33-26,17-11-5-3-6-12-17)21-22(26)24(29)27(23(21)28)18-13-7-4-8-14-18/h3-16,21-22H,1-2H3
InChIKeyCGDCCPGGQXWRTD-UHFFFAOYSA-N
MW475.44 g/mol
LogP4.42
Rot. Bonds5

About 1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione

1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione (PubChem CID 134972541) has the molecular formula C26H22NO6P and a molecular weight of 475.44 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
PubChem CID134972541
Molecular FormulaC26H22NO6P
Molecular Weight475.44 g/mol
Exact Mass475.12
IUPAC Name1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
SMILESCOP(=O)(OC)C12OC(c3ccccc3)(c3ccccc31)C1C(=O)N(c3ccccc3)C(=O)C12
InChIInChI=1S/C26H22NO6P/c1-31-34(30,32-2)26-20-16-10-9-15-19(20)25(33-26,17-11-5-3-6-12-17)21-22(26)24(29)27(23(21)28)18-13-7-4-8-14-18/h3-16,21-22H,1-2H3
InChIKeyCGDCCPGGQXWRTD-UHFFFAOYSA-N
XLogP4.42
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The IUPAC name of 1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione (CID 134972541) is 1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione.
What is the SMILES notation for 1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The canonical SMILES for 1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione is COP(=O)(OC)C12OC(c3ccccc3)(c3ccccc31)C1C(=O)N(c3ccccc3)C(=O)C12.
What is the InChIKey of 1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The InChIKey is CGDCCPGGQXWRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NO6P/c1-31-34(30,32-2)26-20-16-10-9-15-19(20)25(33-26,17-11-5-3-6-12-17)21-22(26)24(29)27(23(21)28)18-13-7-4-8-14-18/h3-16,21-22H,1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione has a molecular weight of 475.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-8,11-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione is sourced from PubChem (CID 134972541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).