diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane

C24H26N3P2S+ — CID 167145005

IUPACdiphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1ccccc1[P+]12CN3CN(CN(C3)C1)C2
InChIInChI=1S/C24H26N3P2S/c30-29(21-9-3-1-4-10-21,22-11-5-2-6-12-22)24-14-8-7-13-23(24)28-18-25-15-26(19-28)17-27(16-25)20-28/h1-14H,15-20H2/q+1
InChIKeyPFDDBKFVMZZFDR-UHFFFAOYSA-N
MW450.51 g/mol
LogP2.78
Rot. Bonds4

About diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane

diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane (PubChem CID 167145005) has the molecular formula C24H26N3P2S+ and a molecular weight of 450.51 g/mol. Its IUPAC name is diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane.

Molecular Properties

Compound Namediphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane
PubChem CID167145005
Molecular FormulaC24H26N3P2S+
Molecular Weight450.51 g/mol
Exact Mass450.13
IUPAC Namediphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1ccccc1[P+]12CN3CN(CN(C3)C1)C2
InChIInChI=1S/C24H26N3P2S/c30-29(21-9-3-1-4-10-21,22-11-5-2-6-12-22)24-14-8-7-13-23(24)28-18-25-15-26(19-28)17-27(16-25)20-28/h1-14H,15-20H2/q+1
InChIKeyPFDDBKFVMZZFDR-UHFFFAOYSA-N
XLogP2.78
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane?
The IUPAC name of diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane (CID 167145005) is diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane.
What is the SMILES notation for diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane?
The canonical SMILES for diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane is S=P(c1ccccc1)(c1ccccc1)c1ccccc1[P+]12CN3CN(CN(C3)C1)C2.
What is the InChIKey of diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane?
The InChIKey is PFDDBKFVMZZFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N3P2S/c30-29(21-9-3-1-4-10-21,22-11-5-2-6-12-22)24-14-8-7-13-23(24)28-18-25-15-26(19-28)17-27(16-25)20-28/h1-14H,15-20H2/q+1.
What are the key properties of diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane?
diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane has a molecular weight of 450.51 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-sulfanylidene-[2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)phenyl]-λ5-phosphane is sourced from PubChem (CID 167145005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).