11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide

C32H24FNO2P2 — CID 139429002

IUPAC11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide
SMILESCc1ccc2c(c1)P(=O)(c1ccccc1)c1cc(F)cc3c1N2c1ccc(C)cc1P3(=O)c1ccccc1
InChIInChI=1S/C32H24FNO2P2/c1-21-13-15-26-28(17-21)37(35,24-9-5-3-6-10-24)30-19-23(33)20-31-32(30)34(26)27-16-14-22(2)18-29(27)38(31,36)25-11-7-4-8-12-25/h3-20H,1-2H3
InChIKeyNROVVPPJSRZPHP-UHFFFAOYSA-N
MW535.50 g/mol
LogP5.82
Rot. Bonds2

About 11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide

11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide (PubChem CID 139429002) has the molecular formula C32H24FNO2P2 and a molecular weight of 535.50 g/mol. Its IUPAC name is 11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide.

Molecular Properties

Compound Name11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide
PubChem CID139429002
Molecular FormulaC32H24FNO2P2
Molecular Weight535.50 g/mol
Exact Mass535.13
IUPAC Name11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide
SMILESCc1ccc2c(c1)P(=O)(c1ccccc1)c1cc(F)cc3c1N2c1ccc(C)cc1P3(=O)c1ccccc1
InChIInChI=1S/C32H24FNO2P2/c1-21-13-15-26-28(17-21)37(35,24-9-5-3-6-10-24)30-19-23(33)20-31-32(30)34(26)27-16-14-22(2)18-29(27)38(31,36)25-11-7-4-8-12-25/h3-20H,1-2H3
InChIKeyNROVVPPJSRZPHP-UHFFFAOYSA-N
XLogP5.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.50
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide?
The IUPAC name of 11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide (CID 139429002) is 11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide.
What is the SMILES notation for 11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide?
The canonical SMILES for 11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide is Cc1ccc2c(c1)P(=O)(c1ccccc1)c1cc(F)cc3c1N2c1ccc(C)cc1P3(=O)c1ccccc1.
What is the InChIKey of 11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide?
The InChIKey is NROVVPPJSRZPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FNO2P2/c1-21-13-15-26-28(17-21)37(35,24-9-5-3-6-10-24)30-19-23(33)20-31-32(30)34(26)27-16-14-22(2)18-29(27)38(31,36)25-11-7-4-8-12-25/h3-20H,1-2H3.
What are the key properties of 11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide?
11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide has a molecular weight of 535.50 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide is sourced from PubChem (CID 139429002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).