4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran

C26H22O — CID 142505023

IUPAC4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran
SMILESC=C/C=C(\C=C/C)Cc1cccc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C26H22O/c1-3-9-19(10-4-2)17-20-11-7-12-21(18-20)22-14-8-15-24-23-13-5-6-16-25(23)27-26(22)24/h3-16,18H,1,17H2,2H3/b10-4-,19-9+
InChIKeyLMZKKQGUQYEABV-CEHPQUIGSA-N
MW350.46 g/mol
LogP7.48
Rot. Bonds5

About 4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran

4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran (PubChem CID 142505023) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran
PubChem CID142505023
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran
SMILESC=C/C=C(\C=C/C)Cc1cccc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C26H22O/c1-3-9-19(10-4-2)17-20-11-7-12-21(18-20)22-14-8-15-24-23-13-5-6-16-25(23)27-26(22)24/h3-16,18H,1,17H2,2H3/b10-4-,19-9+
InChIKeyLMZKKQGUQYEABV-CEHPQUIGSA-N
XLogP7.48
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran
CID 58657592
(3-dibenzofuran-4-ylphenyl)phosphane;hydrochloride
CID 118935396
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
(Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 144565279
(Z,4E)-4-ethylidenehept-2-ene;2-methylbut-2-ene;4-[4-[6-(2-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 143920680
2-dibenzofuran-4-yl-9-[3-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167152146
4-[5-dibenzofuran-4-yl-7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-11-methyl-12-tricyclo[6.6.2.04,16]hexadeca-1(15),2,4(16),5,7,9,11,13-octaenyl]dibenzofuran
CID 143424137
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
buta-1,3-diene;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran;prop-1-ene
CID 144627482
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran?
The IUPAC name of 4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran (CID 142505023) is 4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran is C=C/C=C(\C=C/C)Cc1cccc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran?
The InChIKey is LMZKKQGUQYEABV-CEHPQUIGSA-N. The full InChI is InChI=1S/C26H22O/c1-3-9-19(10-4-2)17-20-11-7-12-21(18-20)22-14-8-15-24-23-13-5-6-16-25(23)27-26(22)24/h3-16,18H,1,17H2,2H3/b10-4-,19-9+.
What are the key properties of 4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran?
4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran has a molecular weight of 350.46 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phenyl]dibenzofuran is sourced from PubChem (CID 142505023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).