trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium

C22H30P2+2 — CID 173265092

IUPACtrimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium
SMILESC[P+](C)(C)c1ccc(C=CC=Cc2ccc([P+](C)(C)C)cc2)cc1
InChIInChI=1S/C22H30P2/c1-23(2,3)21-15-11-19(12-16-21)9-7-8-10-20-13-17-22(18-14-20)24(4,5)6/h7-18H,1-6H3/q+2
InChIKeyULWYTOTUPIQJFY-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.48
Rot. Bonds5

About trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium

trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium (PubChem CID 173265092) has the molecular formula C22H30P2+2 and a molecular weight of 356.43 g/mol. Its IUPAC name is trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium.

Molecular Properties

Compound Nametrimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium
PubChem CID173265092
Molecular FormulaC22H30P2+2
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nametrimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium
SMILESC[P+](C)(C)c1ccc(C=CC=Cc2ccc([P+](C)(C)C)cc2)cc1
InChIInChI=1S/C22H30P2/c1-23(2,3)21-15-11-19(12-16-21)9-7-8-10-20-13-17-22(18-14-20)24(4,5)6/h7-18H,1-6H3/q+2
InChIKeyULWYTOTUPIQJFY-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
CID 72540254
4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
CID 18428969
1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
CID 12032378
4-[(1E,3E)-4-(4-sulfanylphenyl)buta-1,3-dienyl]benzenethiol
CID 89070486
[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
CID 176640300
1-(6-methylhepta-1,3,5-trienyl)-4-propan-2-ylbenzene
CID 123372314
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal
CID 10427370
4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium?
The IUPAC name of trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium (CID 173265092) is trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium.
What is the SMILES notation for trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium?
The canonical SMILES for trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium is C[P+](C)(C)c1ccc(C=CC=Cc2ccc([P+](C)(C)C)cc2)cc1.
What is the InChIKey of trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium?
The InChIKey is ULWYTOTUPIQJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30P2/c1-23(2,3)21-15-11-19(12-16-21)9-7-8-10-20-13-17-22(18-14-20)24(4,5)6/h7-18H,1-6H3/q+2.
What are the key properties of trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium?
trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium has a molecular weight of 356.43 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[4-(4-trimethylphosphaniumylphenyl)buta-1,3-dienyl]phenyl]phosphanium is sourced from PubChem (CID 173265092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).