1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene

C26H26Br2 — CID 139864389

IUPAC1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene
SMILESCCC(=C=C1CCCCC1=C=C(CC)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C26H26Br2/c1-3-19(21-9-13-25(27)14-10-21)17-23-7-5-6-8-24(23)18-20(4-2)22-11-15-26(28)16-12-22/h9-16H,3-8H2,1-2H3
InChIKeyZDPSYNCTZGYJAJ-UHFFFAOYSA-N
MW498.30 g/mol
LogP9.12
Rot. Bonds4

About 1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene

1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene (PubChem CID 139864389) has the molecular formula C26H26Br2 and a molecular weight of 498.30 g/mol. Its IUPAC name is 1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene
PubChem CID139864389
Molecular FormulaC26H26Br2
Molecular Weight498.30 g/mol
Exact Mass496.04
IUPAC Name1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene
SMILESCCC(=C=C1CCCCC1=C=C(CC)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C26H26Br2/c1-3-19(21-9-13-25(27)14-10-21)17-23-7-5-6-8-24(23)18-20(4-2)22-11-15-26(28)16-12-22/h9-16H,3-8H2,1-2H3
InChIKeyZDPSYNCTZGYJAJ-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.30
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene?
The IUPAC name of 1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene (CID 139864389) is 1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene is CCC(=C=C1CCCCC1=C=C(CC)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene?
The InChIKey is ZDPSYNCTZGYJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Br2/c1-3-19(21-9-13-25(27)14-10-21)17-23-7-5-6-8-24(23)18-20(4-2)22-11-15-26(28)16-12-22/h9-16H,3-8H2,1-2H3.
What are the key properties of 1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene?
1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene has a molecular weight of 498.30 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene is sourced from PubChem (CID 139864389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).