[2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+)

C24H17F6N8OsP+2 — CID 175714901

IUPAC[2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+)
SMILESCP(C)c1cccc(-n2nc(C(F)(F)F)nc2-c2ccccn2)c1-n1nc(C(F)(F)F)nc1-c1ccccn1.[Os+2]
InChIInChI=1S/C24H17F6N8P.Os/c1-39(2)17-11-7-10-16(37-19(14-8-3-5-12-31-14)33-21(35-37)23(25,26)27)18(17)38-20(15-9-4-6-13-32-15)34-22(36-38)24(28,29)30;/h3-13H,1-2H3;/q;+2
InChIKeyHETVXNQNOVQOTF-UHFFFAOYSA-N
MW752.65 g/mol
LogP5.37
Rot. Bonds5

About [2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+)

[2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+) (PubChem CID 175714901) has the molecular formula C24H17F6N8OsP+2 and a molecular weight of 752.65 g/mol. Its IUPAC name is [2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+).

Molecular Properties

Compound Name[2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+)
PubChem CID175714901
Molecular FormulaC24H17F6N8OsP+2
Molecular Weight752.65 g/mol
Exact Mass754.08
IUPAC Name[2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+)
SMILESCP(C)c1cccc(-n2nc(C(F)(F)F)nc2-c2ccccn2)c1-n1nc(C(F)(F)F)nc1-c1ccccn1.[Os+2]
InChIInChI=1S/C24H17F6N8P.Os/c1-39(2)17-11-7-10-16(37-19(14-8-3-5-12-31-14)33-21(35-37)23(25,26)27)18(17)38-20(15-9-4-6-13-32-15)34-22(36-38)24(28,29)30;/h3-13H,1-2H3;/q;+2
InChIKeyHETVXNQNOVQOTF-UHFFFAOYSA-N
XLogP5.37
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.65
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+) 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 [2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+)?
The IUPAC name of [2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+) (CID 175714901) is [2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+).
What is the SMILES notation for [2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+)?
The canonical SMILES for [2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+) is CP(C)c1cccc(-n2nc(C(F)(F)F)nc2-c2ccccn2)c1-n1nc(C(F)(F)F)nc1-c1ccccn1.[Os+2].
What is the InChIKey of [2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+)?
The InChIKey is HETVXNQNOVQOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6N8P.Os/c1-39(2)17-11-7-10-16(37-19(14-8-3-5-12-31-14)33-21(35-37)23(25,26)27)18(17)38-20(15-9-4-6-13-32-15)34-22(36-38)24(28,29)30;/h3-13H,1-2H3;/q;+2.
What are the key properties of [2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+)?
[2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+) has a molecular weight of 752.65 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]-dimethylphosphane;osmium(2+) is sourced from PubChem (CID 175714901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).