3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine

C26H18Br2N2 — CID 102291374

IUPAC3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine
SMILESBrc1cncc(/C=C/c2ccccc2)c1-c1c(Br)cncc1/C=C/c1ccccc1
InChIInChI=1S/C26H18Br2N2/c27-23-17-29-15-21(13-11-19-7-3-1-4-8-19)25(23)26-22(16-30-18-24(26)28)14-12-20-9-5-2-6-10-20/h1-18H/b13-11+,14-12+
InChIKeyCXEGSTHGLHRKPX-PHEQNACWSA-N
MW518.25 g/mol
LogP8.01
Rot. Bonds5

About 3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine

3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine (PubChem CID 102291374) has the molecular formula C26H18Br2N2 and a molecular weight of 518.25 g/mol. Its IUPAC name is 3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine.

Molecular Properties

Compound Name3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine
PubChem CID102291374
Molecular FormulaC26H18Br2N2
Molecular Weight518.25 g/mol
Exact Mass515.98
IUPAC Name3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine
SMILESBrc1cncc(/C=C/c2ccccc2)c1-c1c(Br)cncc1/C=C/c1ccccc1
InChIInChI=1S/C26H18Br2N2/c27-23-17-29-15-21(13-11-19-7-3-1-4-8-19)25(23)26-22(16-30-18-24(26)28)14-12-20-9-5-2-6-10-20/h1-18H/b13-11+,14-12+
InChIKeyCXEGSTHGLHRKPX-PHEQNACWSA-N
XLogP8.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.25
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine with MolForge

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Related Compounds

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4-(4-Bromophenyl)pyridine
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3-Bromo-5-phenylpyridine
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4-[(E)-2-(4-bromophenyl)ethenyl]-1-propylpyridin-1-ium
CID 824130

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine?
The IUPAC name of 3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine (CID 102291374) is 3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine.
What is the SMILES notation for 3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine?
The canonical SMILES for 3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine is Brc1cncc(/C=C/c2ccccc2)c1-c1c(Br)cncc1/C=C/c1ccccc1.
What is the InChIKey of 3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine?
The InChIKey is CXEGSTHGLHRKPX-PHEQNACWSA-N. The full InChI is InChI=1S/C26H18Br2N2/c27-23-17-29-15-21(13-11-19-7-3-1-4-8-19)25(23)26-22(16-30-18-24(26)28)14-12-20-9-5-2-6-10-20/h1-18H/b13-11+,14-12+.
What are the key properties of 3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine?
3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine has a molecular weight of 518.25 g/mol, XLogP of 8.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine is sourced from PubChem (CID 102291374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).