methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium

C29H29O3PS — CID 11283205

IUPACmethanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
SMILESC(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\Cc1ccccc1.CS(=O)(=O)[O-]
InChIInChI=1S/C28H26P.CH4O3S/c1-5-15-25(16-6-1)17-13-14-24-29(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28;1-5(2,3)4/h1-16,18-23H,17,24H2;1H3,(H,2,3,4)/q+1;/p-1/b14-13-;
InChIKeyMVGGVFZRLRSYPZ-HPWRNOGASA-M
MW488.59 g/mol
LogP4.94
Rot. Bonds7

About methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium

methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium (PubChem CID 11283205) has the molecular formula C29H29O3PS and a molecular weight of 488.59 g/mol. Its IUPAC name is methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium.

Molecular Properties

Compound Namemethanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
PubChem CID11283205
Molecular FormulaC29H29O3PS
Molecular Weight488.59 g/mol
Exact Mass488.16
IUPAC Namemethanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
SMILESC(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\Cc1ccccc1.CS(=O)(=O)[O-]
InChIInChI=1S/C28H26P.CH4O3S/c1-5-15-25(16-6-1)17-13-14-24-29(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28;1-5(2,3)4/h1-16,18-23H,17,24H2;1H3,(H,2,3,4)/q+1;/p-1/b14-13-;
InChIKeyMVGGVFZRLRSYPZ-HPWRNOGASA-M
XLogP4.94
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium 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

triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
CID 11283206
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
CID 101160336
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920
[(E)-4-bromobut-2-enyl]-triphenylphosphanium;hydrobromide
CID 20833566
[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
CID 13156160
methanesulfonate;triphenyl(4-sulfobutyl)phosphanium
CID 87060000
3-iminoprop-2-enyl(triphenyl)phosphanium
CID 139243695
[(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium
CID 102504264
trisodium;3-[[(E)-but-2-enyl]-bis(3-sulfonatophenyl)phosphaniumyl]benzenesulfonate
CID 102596450
[(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enyl]-triphenylphosphanium bromide
CID 172710596
[(E)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium bromide
CID 6450201

Frequently Asked Questions

What is the IUPAC name of methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium?
The IUPAC name of methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium (CID 11283205) is methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium.
What is the SMILES notation for methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium?
The canonical SMILES for methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium is C(=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\Cc1ccccc1.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium?
The InChIKey is MVGGVFZRLRSYPZ-HPWRNOGASA-M. The full InChI is InChI=1S/C28H26P.CH4O3S/c1-5-15-25(16-6-1)17-13-14-24-29(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28;1-5(2,3)4/h1-16,18-23H,17,24H2;1H3,(H,2,3,4)/q+1;/p-1/b14-13-;.
What are the key properties of methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium?
methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium has a molecular weight of 488.59 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium is sourced from PubChem (CID 11283205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).