[(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene

C26H23I — CID 89150372

IUPAC[(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene
SMILESC=C/C=C(\C=C/CI)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23I/c1-2-13-22(20-12-21-27)26(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h2-20H,1,21H2/b20-12-,22-13+
InChIKeyLXHFFHZXJZPYSZ-DKNDRJFASA-N
MW462.37 g/mol
LogP7.12
Rot. Bonds7

About [(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene

[(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene (PubChem CID 89150372) has the molecular formula C26H23I and a molecular weight of 462.37 g/mol. Its IUPAC name is [(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene.

Molecular Properties

Compound Name[(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene
PubChem CID89150372
Molecular FormulaC26H23I
Molecular Weight462.37 g/mol
Exact Mass462.08
IUPAC Name[(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene
SMILESC=C/C=C(\C=C/CI)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23I/c1-2-13-22(20-12-21-27)26(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h2-20H,1,21H2/b20-12-,22-13+
InChIKeyLXHFFHZXJZPYSZ-DKNDRJFASA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.37
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

ethane;[(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 142223865
(3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol
CID 170959833
[(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene
CID 166095952
N-[4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]-N-iodo-4-(2-phenylpropan-2-yl)aniline
CID 170058694
[(1E,3E)-3-(trimethoxymethyl)hexa-1,3,5-trienoxy]benzene
CID 126606920
(3E,5E)-1-hydroxy-6-[hydroxy(diphenyl)methyl]octa-3,5,7-trien-2-one
CID 142826257
(2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane
CID 144938327
ethenyl 2,2,2-triphenylacetate
CID 102123428
1-phenylbut-3-ene-1,1-diol
CID 134892936
CID 135081440
CID 135081440
2-iodo-1,1-diphenylethanol
CID 11738821
5-methylidene-3-phenylhept-6-en-3-ol
CID 90476881

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene?
The IUPAC name of [(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene (CID 89150372) is [(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene.
What is the SMILES notation for [(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene?
The canonical SMILES for [(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene is C=C/C=C(\C=C/CI)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene?
The InChIKey is LXHFFHZXJZPYSZ-DKNDRJFASA-N. The full InChI is InChI=1S/C26H23I/c1-2-13-22(20-12-21-27)26(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h2-20H,1,21H2/b20-12-,22-13+.
What are the key properties of [(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene?
[(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene has a molecular weight of 462.37 g/mol, XLogP of 7.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[(Z)-3-iodoprop-1-enyl]-1,1-diphenylpenta-2,4-dienyl]benzene is sourced from PubChem (CID 89150372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).