1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene

C20H15Br — CID 88544224

IUPAC1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene
SMILESBrc1ccc(/C=C/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C20H15Br/c21-20-15-14-17(18-12-6-7-13-19(18)20)11-5-4-10-16-8-2-1-3-9-16/h1-15H/b10-4+,11-5+
InChIKeyLMYCUDVCZNASMT-ZVSIBQGLSA-N
MW335.24 g/mol
LogP6.33
Rot. Bonds3

About 1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene

1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene (PubChem CID 88544224) has the molecular formula C20H15Br and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene
PubChem CID88544224
Molecular FormulaC20H15Br
Molecular Weight335.24 g/mol
Exact Mass334.04
IUPAC Name1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene
SMILESBrc1ccc(/C=C/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C20H15Br/c21-20-15-14-17(18-12-6-7-13-19(18)20)11-5-4-10-16-8-2-1-3-9-16/h1-15H/b10-4+,11-5+
InChIKeyLMYCUDVCZNASMT-ZVSIBQGLSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.24
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[(1E,3E)-4-(4-iodophenyl)buta-1,3-dienyl]naphthalene
CID 122627652
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
3-[2-(4-bromonaphthalen-1-yl)ethenyl]benzoic acid
CID 70566086
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
1,4-dibromonaphthalene
CID 162208061
[(1E,3Z)-4-bromobuta-1,3-dienyl]benzene
CID 11708291
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
1-methyl-4-(2-phenylethenyl)naphthalene
CID 4283155
N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine
CID 58898602
9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 87061574
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene?
The IUPAC name of 1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene (CID 88544224) is 1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene?
The canonical SMILES for 1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene is Brc1ccc(/C=C/C=C/c2ccccc2)c2ccccc12.
What is the InChIKey of 1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene?
The InChIKey is LMYCUDVCZNASMT-ZVSIBQGLSA-N. The full InChI is InChI=1S/C20H15Br/c21-20-15-14-17(18-12-6-7-13-19(18)20)11-5-4-10-16-8-2-1-3-9-16/h1-15H/b10-4+,11-5+.
What are the key properties of 1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene?
1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene has a molecular weight of 335.24 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene is sourced from PubChem (CID 88544224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).