22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide

C24H14NO3P — CID 134317360

IUPAC22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
SMILESO=P12c3c4cccc3Oc3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C24H14NO3P/c26-29-22-16-9-4-11-18(22)27-20-13-6-14-21(24(20)29)28-19-12-5-10-17(23(19)29)25(16)15-7-2-1-3-8-15/h1-14H
InChIKeyBHTYPNZSFHFTII-UHFFFAOYSA-N
MW395.35 g/mol
LogP5.32
Rot. Bonds1

About 22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide

22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide (PubChem CID 134317360) has the molecular formula C24H14NO3P and a molecular weight of 395.35 g/mol. Its IUPAC name is 22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide.

Molecular Properties

Compound Name22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
PubChem CID134317360
Molecular FormulaC24H14NO3P
Molecular Weight395.35 g/mol
Exact Mass395.07
IUPAC Name22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
SMILESO=P12c3c4cccc3Oc3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C24H14NO3P/c26-29-22-16-9-4-11-18(22)27-20-13-6-14-21(24(20)29)28-19-12-5-10-17(23(19)29)25(16)15-7-2-1-3-8-15/h1-14H
InChIKeyBHTYPNZSFHFTII-UHFFFAOYSA-N
XLogP5.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.35
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide?
The IUPAC name of 22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide (CID 134317360) is 22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide.
What is the SMILES notation for 22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide?
The canonical SMILES for 22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide is O=P12c3c4cccc3Oc3cccc(c31)N(c1ccccc1)c1cccc(c12)O4.
What is the InChIKey of 22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide?
The InChIKey is BHTYPNZSFHFTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14NO3P/c26-29-22-16-9-4-11-18(22)27-20-13-6-14-21(24(20)29)28-19-12-5-10-17(23(19)29)25(16)15-7-2-1-3-8-15/h1-14H.
What are the key properties of 22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide?
22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide has a molecular weight of 395.35 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-phenyl-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide is sourced from PubChem (CID 134317360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).