9-bromo-10-[(E)-2-phenylethenyl]anthracene

C22H15Br — CID 102276385

IUPAC9-bromo-10-[(E)-2-phenylethenyl]anthracene
SMILESBrc1c2ccccc2c(/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C22H15Br/c23-22-20-12-6-4-10-17(20)19(18-11-5-7-13-21(18)22)15-14-16-8-2-1-3-9-16/h1-15H/b15-14+
InChIKeyVLSNDOAQRNHRPJ-CCEZHUSRSA-N
MW359.27 g/mol
LogP6.93
Rot. Bonds2

About 9-bromo-10-[(E)-2-phenylethenyl]anthracene

9-bromo-10-[(E)-2-phenylethenyl]anthracene (PubChem CID 102276385) has the molecular formula C22H15Br and a molecular weight of 359.27 g/mol. Its IUPAC name is 9-bromo-10-[(E)-2-phenylethenyl]anthracene.

Molecular Properties

Compound Name9-bromo-10-[(E)-2-phenylethenyl]anthracene
PubChem CID102276385
Molecular FormulaC22H15Br
Molecular Weight359.27 g/mol
Exact Mass358.04
IUPAC Name9-bromo-10-[(E)-2-phenylethenyl]anthracene
SMILESBrc1c2ccccc2c(/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C22H15Br/c23-22-20-12-6-4-10-17(20)19(18-11-5-7-13-21(18)22)15-14-16-8-2-1-3-9-16/h1-15H/b15-14+
InChIKeyVLSNDOAQRNHRPJ-CCEZHUSRSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.27
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-[2-(4-isocyanophenyl)ethenyl]-10-(2-phenylethenyl)anthracene
CID 87268979
2,3-dibromo-4-(2-phenylethenyl)quinoline
CID 154342349
CID 70567885
CID 70567885
CID 70569152
CID 70569152
6-[(E)-2-phenylethenyl]benzo[a]pyrene
CID 6434715
4-[10-[10-[(E)-2-phenylethenyl]anthracen-9-yl]anthracen-9-yl]-N,N-bis[4-[10-[10-[(E)-2-phenylethenyl]anthracen-9-yl]anthracen-9-yl]phenyl]aniline
CID 59742127
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine
CID 156785392
1,3-dibromo-5-(2-phenylethenyl)benzene
CID 74389715
2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
CID 166844983
1-(2-phenylethenyl)naphthalen-2-amine
CID 68840486

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-[(E)-2-phenylethenyl]anthracene?
The IUPAC name of 9-bromo-10-[(E)-2-phenylethenyl]anthracene (CID 102276385) is 9-bromo-10-[(E)-2-phenylethenyl]anthracene.
What is the SMILES notation for 9-bromo-10-[(E)-2-phenylethenyl]anthracene?
The canonical SMILES for 9-bromo-10-[(E)-2-phenylethenyl]anthracene is Brc1c2ccccc2c(/C=C/c2ccccc2)c2ccccc12.
What is the InChIKey of 9-bromo-10-[(E)-2-phenylethenyl]anthracene?
The InChIKey is VLSNDOAQRNHRPJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H15Br/c23-22-20-12-6-4-10-17(20)19(18-11-5-7-13-21(18)22)15-14-16-8-2-1-3-9-16/h1-15H/b15-14+.
What are the key properties of 9-bromo-10-[(E)-2-phenylethenyl]anthracene?
9-bromo-10-[(E)-2-phenylethenyl]anthracene has a molecular weight of 359.27 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-[(E)-2-phenylethenyl]anthracene is sourced from PubChem (CID 102276385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).