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

C61H42P+ — CID 139257749

IUPACtris(3-anthracen-9-ylphenyl)-methylphosphanium
SMILESC[P+](c1cccc(-c2c3ccccc3cc3ccccc23)c1)(c1cccc(-c2c3ccccc3cc3ccccc23)c1)c1cccc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C61H42P/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/h2-40H,1H3/q+1
InChIKeyBUBYGCIXJAZZHB-UHFFFAOYSA-N
MW805.98 g/mol
LogP15.53
Rot. Bonds6

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

tris(3-anthracen-9-ylphenyl)-methylphosphanium (PubChem CID 139257749) has the molecular formula C61H42P+ and a molecular weight of 805.98 g/mol. Its IUPAC name is tris(3-anthracen-9-ylphenyl)-methylphosphanium.

Molecular Properties

Compound Nametris(3-anthracen-9-ylphenyl)-methylphosphanium
PubChem CID139257749
Molecular FormulaC61H42P+
Molecular Weight805.98 g/mol
Exact Mass805.30
IUPAC Nametris(3-anthracen-9-ylphenyl)-methylphosphanium
SMILESC[P+](c1cccc(-c2c3ccccc3cc3ccccc23)c1)(c1cccc(-c2c3ccccc3cc3ccccc23)c1)c1cccc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C61H42P/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/h2-40H,1H3/q+1
InChIKeyBUBYGCIXJAZZHB-UHFFFAOYSA-N
XLogP15.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(3-anthracen-9-ylphenyl)-methylphosphanium nitrate
CID 139257748
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
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
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-methylphenol
CID 156873853
N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane
CID 142283277
9-(3-anthracen-9-yl-5-fluorophenyl)anthracene
CID 122597790

Frequently Asked Questions

What is the IUPAC name of tris(3-anthracen-9-ylphenyl)-methylphosphanium?
The IUPAC name of tris(3-anthracen-9-ylphenyl)-methylphosphanium (CID 139257749) is tris(3-anthracen-9-ylphenyl)-methylphosphanium.
What is the SMILES notation for tris(3-anthracen-9-ylphenyl)-methylphosphanium?
The canonical SMILES for tris(3-anthracen-9-ylphenyl)-methylphosphanium is C[P+](c1cccc(-c2c3ccccc3cc3ccccc23)c1)(c1cccc(-c2c3ccccc3cc3ccccc23)c1)c1cccc(-c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of tris(3-anthracen-9-ylphenyl)-methylphosphanium?
The InChIKey is BUBYGCIXJAZZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42P/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/h2-40H,1H3/q+1.
What are the key properties of tris(3-anthracen-9-ylphenyl)-methylphosphanium?
tris(3-anthracen-9-ylphenyl)-methylphosphanium has a molecular weight of 805.98 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-anthracen-9-ylphenyl)-methylphosphanium is sourced from PubChem (CID 139257749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).