bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane

C25H21N4PSe — CID 139149599

IUPACbis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane
SMILESCc1ccc(P(=[Se])(c2ccc(C)cc2)c2cccc(-c3nnn4ccccc34)n2)cc1
InChIInChI=1S/C25H21N4PSe/c1-18-9-13-20(14-10-18)30(31,21-15-11-19(2)12-16-21)24-8-5-6-22(26-24)25-23-7-3-4-17-29(23)28-27-25/h3-17H,1-2H3
InChIKeySVGMCTHZFSOVEV-UHFFFAOYSA-N
MW487.41 g/mol
LogP3.79
Rot. Bonds4

About bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane

bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane (PubChem CID 139149599) has the molecular formula C25H21N4PSe and a molecular weight of 487.41 g/mol. Its IUPAC name is bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane.

Molecular Properties

Compound Namebis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane
PubChem CID139149599
Molecular FormulaC25H21N4PSe
Molecular Weight487.41 g/mol
Exact Mass488.07
IUPAC Namebis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane
SMILESCc1ccc(P(=[Se])(c2ccc(C)cc2)c2cccc(-c3nnn4ccccc34)n2)cc1
InChIInChI=1S/C25H21N4PSe/c1-18-9-13-20(14-10-18)30(31,21-15-11-19(2)12-16-21)24-8-5-6-22(26-24)25-23-7-3-4-17-29(23)28-27-25/h3-17H,1-2H3
InChIKeySVGMCTHZFSOVEV-UHFFFAOYSA-N
XLogP3.79
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane?
The IUPAC name of bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane (CID 139149599) is bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane.
What is the SMILES notation for bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane?
The canonical SMILES for bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane is Cc1ccc(P(=[Se])(c2ccc(C)cc2)c2cccc(-c3nnn4ccccc34)n2)cc1.
What is the InChIKey of bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane?
The InChIKey is SVGMCTHZFSOVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N4PSe/c1-18-9-13-20(14-10-18)30(31,21-15-11-19(2)12-16-21)24-8-5-6-22(26-24)25-23-7-3-4-17-29(23)28-27-25/h3-17H,1-2H3.
What are the key properties of bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane?
bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane has a molecular weight of 487.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)-selanylidene-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-λ5-phosphane is sourced from PubChem (CID 139149599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).