tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate

C61H42NO3P — CID 139257748

IUPACtris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate
SMILESC[P+](c1cccc(-c2c3ccccc3cc3ccccc23)c1)(c1cccc(-c2c3ccccc3cc3ccccc23)c1)c1cccc(-c2c3ccccc3cc3ccccc23)c1.O=[N+]([O-])[O-]
InChIInChI=1S/C61H42P.NO3/c1-62(50-26-14-23-47(38-50)59-53-29-8-2-17-41(53)35-42-18-3-9-30-54(42)59,51-27-15-24-48(39-51)60-55-31-10-4-19-43(55)36-44-20-5-11-32-56(44)60)52-28-16-25-49(40-52)61-57-33-12-6-21-45(57)37-46-22-7-13-34-58(46)61;2-1(3)4/h2-40H,1H3;/q+1;-1
InChIKeyLTQOHUCWXGDWQO-UHFFFAOYSA-N
MW867.99 g/mol
LogP15.29
Rot. Bonds6

About tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate

tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate (PubChem CID 139257748) has the molecular formula C61H42NO3P and a molecular weight of 867.99 g/mol. Its IUPAC name is tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate.

Molecular Properties

Compound Nametris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate
PubChem CID139257748
Molecular FormulaC61H42NO3P
Molecular Weight867.99 g/mol
Exact Mass867.29
IUPAC Nametris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate
SMILESC[P+](c1cccc(-c2c3ccccc3cc3ccccc23)c1)(c1cccc(-c2c3ccccc3cc3ccccc23)c1)c1cccc(-c2c3ccccc3cc3ccccc23)c1.O=[N+]([O-])[O-]
InChIInChI=1S/C61H42P.NO3/c1-62(50-26-14-23-47(38-50)59-53-29-8-2-17-41(53)35-42-18-3-9-30-54(42)59,51-27-15-24-48(39-51)60-55-31-10-4-19-43(55)36-44-20-5-11-32-56(44)60)52-28-16-25-49(40-52)61-57-33-12-6-21-45(57)37-46-22-7-13-34-58(46)61;2-1(3)4/h2-40H,1H3;/q+1;-1
InChIKeyLTQOHUCWXGDWQO-UHFFFAOYSA-N
XLogP15.29
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.99
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate 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

tris(3-anthracen-9-ylphenyl)-methylphosphanium
CID 139257749
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-(6-nitronaphthalen-2-yl)anthracene
CID 174679539
3-anthracen-9-ylphenol
CID 91210590
9-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
CID 142555564
9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706323
9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
CID 129164109
4-(4-anthracen-9-ylphenyl)butane-2-thiol
CID 57300743
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
9-(4-butan-2-ylphenyl)anthracene
CID 22974701
9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene
CID 143896847
4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane
CID 153340780

Frequently Asked Questions

What is the IUPAC name of tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate?
The IUPAC name of tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate (CID 139257748) is tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate.
What is the SMILES notation for tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate?
The canonical SMILES for tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate is C[P+](c1cccc(-c2c3ccccc3cc3ccccc23)c1)(c1cccc(-c2c3ccccc3cc3ccccc23)c1)c1cccc(-c2c3ccccc3cc3ccccc23)c1.O=[N+]([O-])[O-].
What is the InChIKey of tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate?
The InChIKey is LTQOHUCWXGDWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42P.NO3/c1-62(50-26-14-23-47(38-50)59-53-29-8-2-17-41(53)35-42-18-3-9-30-54(42)59,51-27-15-24-48(39-51)60-55-31-10-4-19-43(55)36-44-20-5-11-32-56(44)60)52-28-16-25-49(40-52)61-57-33-12-6-21-45(57)37-46-22-7-13-34-58(46)61;2-1(3)4/h2-40H,1H3;/q+1;-1.
What are the key properties of tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate?
tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate has a molecular weight of 867.99 g/mol, XLogP of 15.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate is sourced from PubChem (CID 139257748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).