1,1-difluoro-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

C24H14F2NO2P — CID 134317631

IUPAC1,1-difluoro-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
SMILESFP12(F)c3c4cccc3Oc3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C24H14F2NO2P/c25-30(26)22-16-9-4-11-18(22)28-20-13-6-14-21(24(20)30)29-19-12-5-10-17(23(19)30)27(16)15-7-2-1-3-8-15/h1-14H
InChIKeyWIEDADKEIPXWEQ-UHFFFAOYSA-N
MW417.35 g/mol
LogP6.28
Rot. Bonds1

About 1,1-difluoro-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

1,1-difluoro-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 (PubChem CID 134317631) has the molecular formula C24H14F2NO2P and a molecular weight of 417.35 g/mol. Its IUPAC name is 1,1-difluoro-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.

Molecular Properties

Compound Name1,1-difluoro-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
PubChem CID134317631
Molecular FormulaC24H14F2NO2P
Molecular Weight417.35 g/mol
Exact Mass417.07
IUPAC Name1,1-difluoro-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
SMILESFP12(F)c3c4cccc3Oc3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C24H14F2NO2P/c25-30(26)22-16-9-4-11-18(22)28-20-13-6-14-21(24(20)30)29-19-12-5-10-17(23(19)30)27(16)15-7-2-1-3-8-15/h1-14H
InChIKeyWIEDADKEIPXWEQ-UHFFFAOYSA-N
XLogP6.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.35
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-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?
The IUPAC name of 1,1-difluoro-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 (CID 134317631) is 1,1-difluoro-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.
What is the SMILES notation for 1,1-difluoro-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?
The canonical SMILES for 1,1-difluoro-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 is FP12(F)c3c4cccc3Oc3cccc(c31)N(c1ccccc1)c1cccc(c12)O4.
What is the InChIKey of 1,1-difluoro-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?
The InChIKey is WIEDADKEIPXWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2NO2P/c25-30(26)22-16-9-4-11-18(22)28-20-13-6-14-21(24(20)30)29-19-12-5-10-17(23(19)30)27(16)15-7-2-1-3-8-15/h1-14H.
What are the key properties of 1,1-difluoro-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?
1,1-difluoro-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 has a molecular weight of 417.35 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-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 is sourced from PubChem (CID 134317631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).