4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran

C25H19BrO — CID 121449415

IUPAC4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran
SMILESC=C/C=C\C(=C/C)c1cccc2c1oc1c(-c3ccc(Br)cc3)cccc12
InChIInChI=1S/C25H19BrO/c1-3-5-8-17(4-2)20-9-6-11-22-23-12-7-10-21(25(23)27-24(20)22)18-13-15-19(26)16-14-18/h3-16H,1H2,2H3/b8-5-,17-4+
InChIKeySINKWBYRSBZZEY-LHUXLXAWSA-N
MW415.33 g/mol
LogP8.16
Rot. Bonds4

About 4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran

4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran (PubChem CID 121449415) has the molecular formula C25H19BrO and a molecular weight of 415.33 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran
PubChem CID121449415
Molecular FormulaC25H19BrO
Molecular Weight415.33 g/mol
Exact Mass414.06
IUPAC Name4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran
SMILESC=C/C=C\C(=C/C)c1cccc2c1oc1c(-c3ccc(Br)cc3)cccc12
InChIInChI=1S/C25H19BrO/c1-3-5-8-17(4-2)20-9-6-11-22-23-12-7-10-21(25(23)27-24(20)22)18-13-15-19(26)16-14-18/h3-16H,1H2,2H3/b8-5-,17-4+
InChIKeySINKWBYRSBZZEY-LHUXLXAWSA-N
XLogP8.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.33
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-methylphenyl)dibenzothiophene
CID 144687861
4-(4-bromophenyl)dibenzofuran
CID 59022098
N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane
CID 142363351
[2-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-6-hydroxyphenyl] hypofluorite
CID 143981962
CID 174084398
CID 174084398
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline
CID 145370684
4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran
CID 139552015
1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran
CID 142319517
ethane;2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzaldehyde
CID 142175336
4-dibenzofuran-4-yl-N-[(1Z,3E)-3-dibenzofuran-4-ylhexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline
CID 174254003
2,5-bis[4-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole
CID 70332227
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran?
The IUPAC name of 4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran (CID 121449415) is 4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran.
What is the SMILES notation for 4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran?
The canonical SMILES for 4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran is C=C/C=C\C(=C/C)c1cccc2c1oc1c(-c3ccc(Br)cc3)cccc12.
What is the InChIKey of 4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran?
The InChIKey is SINKWBYRSBZZEY-LHUXLXAWSA-N. The full InChI is InChI=1S/C25H19BrO/c1-3-5-8-17(4-2)20-9-6-11-22-23-12-7-10-21(25(23)27-24(20)22)18-13-15-19(26)16-14-18/h3-16H,1H2,2H3/b8-5-,17-4+.
What are the key properties of 4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran?
4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran has a molecular weight of 415.33 g/mol, XLogP of 8.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran is sourced from PubChem (CID 121449415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).