(2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal

C23H18OSSe — CID 11212340

IUPAC(2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal
SMILESO=C/C=C(Sc1ccccc1)/C(=C/c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C23H18OSSe/c24-17-16-22(25-20-12-6-2-7-13-20)23(18-19-10-4-1-5-11-19)26-21-14-8-3-9-15-21/h1-18H/b22-16-,23-18-
InChIKeyXSZNFSAJSKLNRH-NEEBWFLQSA-N
MW421.42 g/mol
LogP4.93
Rot. Bonds7

About (2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal

(2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal (PubChem CID 11212340) has the molecular formula C23H18OSSe and a molecular weight of 421.42 g/mol. Its IUPAC name is (2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal.

Molecular Properties

Compound Name(2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal
PubChem CID11212340
Molecular FormulaC23H18OSSe
Molecular Weight421.42 g/mol
Exact Mass422.02
IUPAC Name(2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal
SMILESO=C/C=C(Sc1ccccc1)/C(=C/c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C23H18OSSe/c24-17-16-22(25-20-12-6-2-7-13-20)23(18-19-10-4-1-5-11-19)26-21-14-8-3-9-15-21/h1-18H/b22-16-,23-18-
InChIKeyXSZNFSAJSKLNRH-NEEBWFLQSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z,6E)-7-phenyl-4-phenylselanyl-3-phenylsulfanylhepta-2,4,6-trienal
CID 11465022
(2E,4E)-3-methylsulfanyl-5-phenyl-4-phenylselanylpenta-2,4-dienal
CID 11245320
(2Z,4Z)-6,6-dimethyl-3,4-bis(phenylsulfanyl)hepta-2,4-dienal
CID 11187369
(Z)-3-phenylselanylbut-2-enal
CID 139265511
(2Z,4E)-3-methylsulfanyl-4-phenylsulfanyl-5-(2,4,6-trimethylphenyl)penta-2,4-dienal
CID 11394110
6,6-dimethyl-3-methylsulfanyl-4-phenylsulfanylhepta-2,4-dienal
CID 71379096
[(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene
CID 134932276
ethyl (E)-3-(4-methoxyphenyl)-2-phenylselanylprop-2-enoate
CID 6375627
trimethyl-[(E)-2-phenylselanyl-2-phenylsulfanylethenyl]silane
CID 134933158
ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate
CID 6110099
2-fluoro-3-phenylprop-2-enal
CID 54285949
[(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene
CID 102573736

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal?
The IUPAC name of (2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal (CID 11212340) is (2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal.
What is the SMILES notation for (2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal?
The canonical SMILES for (2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal is O=C/C=C(Sc1ccccc1)/C(=C/c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of (2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal?
The InChIKey is XSZNFSAJSKLNRH-NEEBWFLQSA-N. The full InChI is InChI=1S/C23H18OSSe/c24-17-16-22(25-20-12-6-2-7-13-20)23(18-19-10-4-1-5-11-19)26-21-14-8-3-9-15-21/h1-18H/b22-16-,23-18-.
What are the key properties of (2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal?
(2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal has a molecular weight of 421.42 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-phenyl-4-phenylselanyl-3-phenylsulfanylpenta-2,4-dienal is sourced from PubChem (CID 11212340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).