2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine

C52H38N3OP — CID 167109598

IUPAC2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCP(C)(=O)c1cccc(-c2c3ccccc3c(-c3cccc(-c4cccc(-c5nc6c(-c7ccccc7)cc(-c7ccccc7)cn6n5)c4)c3)c3ccccc23)c1
InChIInChI=1S/C52H38N3OP/c1-57(2,56)43-25-15-23-40(32-43)50-46-28-11-9-26-44(46)49(45-27-10-12-29-47(45)50)39-22-13-20-37(30-39)38-21-14-24-41(31-38)51-53-52-48(36-18-7-4-8-19-36)33-42(34-55(52)54-51)35-16-5-3-6-17-35/h3-34H,1-2H3
InChIKeyIDZWOBURJNFLKP-UHFFFAOYSA-N
MW751.87 g/mol
LogP13.29
Rot. Bonds7

About 2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine

2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 167109598) has the molecular formula C52H38N3OP and a molecular weight of 751.87 g/mol. Its IUPAC name is 2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID167109598
Molecular FormulaC52H38N3OP
Molecular Weight751.87 g/mol
Exact Mass751.28
IUPAC Name2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCP(C)(=O)c1cccc(-c2c3ccccc3c(-c3cccc(-c4cccc(-c5nc6c(-c7ccccc7)cc(-c7ccccc7)cn6n5)c4)c3)c3ccccc23)c1
InChIInChI=1S/C52H38N3OP/c1-57(2,56)43-25-15-23-40(32-43)50-46-28-11-9-26-44(46)49(45-27-10-12-29-47(45)50)39-22-13-20-37(30-39)38-21-14-24-41(31-38)51-53-52-48(36-18-7-4-8-19-36)33-42(34-55(52)54-51)35-16-5-3-6-17-35/h3-34H,1-2H3
InChIKeyIDZWOBURJNFLKP-UHFFFAOYSA-N
XLogP13.29
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.87
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 176638533
2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171816987
2-[3-(5-methylbenzo[b]phosphindol-3-yl)-5-phenanthren-9-ylphenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 176638816
2-[4-[3-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]naphthalen-1-yl]-5-methylbenzo[b]phosphindole 5-oxide
CID 176638737
2,9,10-tris(3-dimethylphosphorylphenyl)anthracene
CID 142477663
2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 170064697
9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
CID 129164109
2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 146983620
[4-[3-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)phenyl]phenyl]-dimethyl-methylidene-λ5-phosphane;13-(3-dimethylphosphorylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 161177143
2-dibenzofuran-1-yl-5-[4-(3-dimethylphosphorylphenyl)phenyl]-3,6-diphenylpyrazine
CID 156509455
2-dibenzofuran-2-yl-3-[4-(3-dimethylphosphorylphenyl)phenyl]-5,6-diphenylpyrazine
CID 156509378
3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine
CID 142477660

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine (CID 167109598) is 2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine is CP(C)(=O)c1cccc(-c2c3ccccc3c(-c3cccc(-c4cccc(-c5nc6c(-c7ccccc7)cc(-c7ccccc7)cn6n5)c4)c3)c3ccccc23)c1.
What is the InChIKey of 2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IDZWOBURJNFLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N3OP/c1-57(2,56)43-25-15-23-40(32-43)50-46-28-11-9-26-44(46)49(45-27-10-12-29-47(45)50)39-22-13-20-37(30-39)38-21-14-24-41(31-38)51-53-52-48(36-18-7-4-8-19-36)33-42(34-55(52)54-51)35-16-5-3-6-17-35/h3-34H,1-2H3.
What are the key properties of 2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 751.87 g/mol, XLogP of 13.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 167109598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).