[(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium

C28H26P+ — CID 167164754

IUPAC[(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium
SMILESC/C=C\C=C(/C)[P+](c1ccccc1)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H26P/c1-3-4-14-23(2)29(25-17-7-5-8-18-25,26-19-9-6-10-20-26)28-22-13-16-24-15-11-12-21-27(24)28/h3-22H,1-2H3/q+1/b4-3-,23-14+
InChIKeyYPIBZTBBXHMUKG-LVQUNREOSA-N
MW393.49 g/mol
LogP6.61
Rot. Bonds5

About [(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium

[(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium (PubChem CID 167164754) has the molecular formula C28H26P+ and a molecular weight of 393.49 g/mol. Its IUPAC name is [(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium.

Molecular Properties

Compound Name[(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium
PubChem CID167164754
Molecular FormulaC28H26P+
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name[(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium
SMILESC/C=C\C=C(/C)[P+](c1ccccc1)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H26P/c1-3-4-14-23(2)29(25-17-7-5-8-18-25,26-19-9-6-10-20-26)28-22-13-16-24-15-11-12-21-27(24)28/h3-22H,1-2H3/q+1/b4-3-,23-14+
InChIKeyYPIBZTBBXHMUKG-LVQUNREOSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.61
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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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium?
The IUPAC name of [(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium (CID 167164754) is [(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium.
What is the SMILES notation for [(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium?
The canonical SMILES for [(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium is C/C=C\C=C(/C)[P+](c1ccccc1)(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of [(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium?
The InChIKey is YPIBZTBBXHMUKG-LVQUNREOSA-N. The full InChI is InChI=1S/C28H26P/c1-3-4-14-23(2)29(25-17-7-5-8-18-25,26-19-9-6-10-20-26)28-22-13-16-24-15-11-12-21-27(24)28/h3-22H,1-2H3/q+1/b4-3-,23-14+.
What are the key properties of [(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium?
[(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium has a molecular weight of 393.49 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hexa-2,4-dien-2-yl]-naphthalen-1-yl-diphenylphosphanium is sourced from PubChem (CID 167164754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).