1-bromo-4-(2,2-diphenylethenyl)naphthalene

C24H17Br — CID 142672723

IUPAC1-bromo-4-(2,2-diphenylethenyl)naphthalene
SMILESBrc1ccc(C=C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C24H17Br/c25-24-16-15-20(21-13-7-8-14-22(21)24)17-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChIKeyQKZFXOWOZFFQPZ-UHFFFAOYSA-N
MW385.30 g/mol
LogP7.19
Rot. Bonds3

About 1-bromo-4-(2,2-diphenylethenyl)naphthalene

1-bromo-4-(2,2-diphenylethenyl)naphthalene (PubChem CID 142672723) has the molecular formula C24H17Br and a molecular weight of 385.30 g/mol. Its IUPAC name is 1-bromo-4-(2,2-diphenylethenyl)naphthalene.

Molecular Properties

Compound Name1-bromo-4-(2,2-diphenylethenyl)naphthalene
PubChem CID142672723
Molecular FormulaC24H17Br
Molecular Weight385.30 g/mol
Exact Mass384.05
IUPAC Name1-bromo-4-(2,2-diphenylethenyl)naphthalene
SMILESBrc1ccc(C=C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C24H17Br/c25-24-16-15-20(21-13-7-8-14-22(21)24)17-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChIKeyQKZFXOWOZFFQPZ-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.30
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibromonaphthalene
CID 162208061
4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 22983512
4-bromonaphthalene-1-carbaldehyde;1,4-dibromonaphthalene;ethane
CID 158185704
1-bromo-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalene
CID 88544224
3-[2-(4-bromonaphthalen-1-yl)ethenyl]benzoic acid
CID 70566086
1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene
CID 71322184
1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
CID 4530279
4-bromonaphthalen-1-ol
CID 575609
CID 173126547
CID 173126547
4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-[2-phenyl-2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]phenyl]benzene-1,4-diamine
CID 158863365
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 161213338
2-(2,2-diphenylethenyl)aniline
CID 18963673

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,2-diphenylethenyl)naphthalene?
The IUPAC name of 1-bromo-4-(2,2-diphenylethenyl)naphthalene (CID 142672723) is 1-bromo-4-(2,2-diphenylethenyl)naphthalene.
What is the SMILES notation for 1-bromo-4-(2,2-diphenylethenyl)naphthalene?
The canonical SMILES for 1-bromo-4-(2,2-diphenylethenyl)naphthalene is Brc1ccc(C=C(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-bromo-4-(2,2-diphenylethenyl)naphthalene?
The InChIKey is QKZFXOWOZFFQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Br/c25-24-16-15-20(21-13-7-8-14-22(21)24)17-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H.
What are the key properties of 1-bromo-4-(2,2-diphenylethenyl)naphthalene?
1-bromo-4-(2,2-diphenylethenyl)naphthalene has a molecular weight of 385.30 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,2-diphenylethenyl)naphthalene is sourced from PubChem (CID 142672723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).