2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C24H20Cl2N3P3 — CID 12948224

IUPAC2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESClP1(Cl)=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1
InChIInChI=1S/C24H20Cl2N3P3/c25-32(26)28-30(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27-31(29-32,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyYAINMHBMFWZSEZ-UHFFFAOYSA-N
MW514.27 g/mol
LogP7.96
Rot. Bonds4

About 2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 12948224) has the molecular formula C24H20Cl2N3P3 and a molecular weight of 514.27 g/mol. Its IUPAC name is 2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
PubChem CID12948224
Molecular FormulaC24H20Cl2N3P3
Molecular Weight514.27 g/mol
Exact Mass513.02
IUPAC Name2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESClP1(Cl)=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1
InChIInChI=1S/C24H20Cl2N3P3/c25-32(26)28-30(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27-31(29-32,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyYAINMHBMFWZSEZ-UHFFFAOYSA-N
XLogP7.96
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.27
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The IUPAC name of 2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 12948224) is 2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is ClP1(Cl)=NP(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1.
What is the InChIKey of 2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The InChIKey is YAINMHBMFWZSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N3P3/c25-32(26)28-30(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27-31(29-32,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of 2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 514.27 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 12948224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).