4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene

C18H10Br2Cl2 — CID 141434442

IUPAC4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene
SMILESClc1cc(Br)cc(C=Cc2ccc3c(Cl)ccc(Br)c3c2)c1
InChIInChI=1S/C18H10Br2Cl2/c19-13-7-12(8-14(21)10-13)2-1-11-3-4-15-16(9-11)17(20)5-6-18(15)22/h1-10H
InChIKeyZBPMFSTVYJDLFS-UHFFFAOYSA-N
MW456.99 g/mol
LogP7.84
Rot. Bonds2

About 4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene

4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene (PubChem CID 141434442) has the molecular formula C18H10Br2Cl2 and a molecular weight of 456.99 g/mol. Its IUPAC name is 4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene.

Molecular Properties

Compound Name4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene
PubChem CID141434442
Molecular FormulaC18H10Br2Cl2
Molecular Weight456.99 g/mol
Exact Mass453.85
IUPAC Name4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene
SMILESClc1cc(Br)cc(C=Cc2ccc3c(Cl)ccc(Br)c3c2)c1
InChIInChI=1S/C18H10Br2Cl2/c19-13-7-12(8-14(21)10-13)2-1-11-3-4-15-16(9-11)17(20)5-6-18(15)22/h1-10H
InChIKeyZBPMFSTVYJDLFS-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.99
LogP ≤ 57.84
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

4-bromo-6-[2-(5-bromo-2-chloro-3-ethoxyphenyl)ethenyl]-1-chloronaphthalene
CID 139271069
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5-bromo-8-chloro-2H-isoquinolin-3-one
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(3-bromo-5-chlorophenyl)methanimine
CID 176677036
1-bromo-4-[(E)-3-bromobut-1-enyl]-2-chlorobenzene
CID 130539361
1,7-dibromo-5-chlorophenanthrene
CID 142721805
4-(4-bromo-3-chlorophenyl)but-3-ene-1-thiol
CID 170479381
1,3-dibromo-5-(2-phenylethenyl)benzene
CID 74389715
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
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2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide
CID 161252073

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene?
The IUPAC name of 4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene (CID 141434442) is 4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene.
What is the SMILES notation for 4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene?
The canonical SMILES for 4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene is Clc1cc(Br)cc(C=Cc2ccc3c(Cl)ccc(Br)c3c2)c1.
What is the InChIKey of 4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene?
The InChIKey is ZBPMFSTVYJDLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2Cl2/c19-13-7-12(8-14(21)10-13)2-1-11-3-4-15-16(9-11)17(20)5-6-18(15)22/h1-10H.
What are the key properties of 4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene?
4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene has a molecular weight of 456.99 g/mol, XLogP of 7.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene is sourced from PubChem (CID 141434442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).