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

C18H9Br2Cl2F — CID 141434447

IUPAC4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene
SMILESFc1c(Cl)cc(Br)cc1C=Cc1ccc2c(Cl)ccc(Br)c2c1
InChIInChI=1S/C18H9Br2Cl2F/c19-12-8-11(18(23)17(22)9-12)3-1-10-2-4-13-14(7-10)15(20)5-6-16(13)21/h1-9H
InChIKeyOWUPCNKWUAPXGQ-UHFFFAOYSA-N
MW474.98 g/mol
LogP7.98
Rot. Bonds2

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

4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene (PubChem CID 141434447) has the molecular formula C18H9Br2Cl2F and a molecular weight of 474.98 g/mol. Its IUPAC name is 4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene.

Molecular Properties

Compound Name4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene
PubChem CID141434447
Molecular FormulaC18H9Br2Cl2F
Molecular Weight474.98 g/mol
Exact Mass471.84
IUPAC Name4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene
SMILESFc1c(Cl)cc(Br)cc1C=Cc1ccc2c(Cl)ccc(Br)c2c1
InChIInChI=1S/C18H9Br2Cl2F/c19-12-8-11(18(23)17(22)9-12)3-1-10-2-4-13-14(7-10)15(20)5-6-16(13)21/h1-9H
InChIKeyOWUPCNKWUAPXGQ-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.98
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

10-Bromo-1,8-dichloroanthracene
CID 15939690
1-Bromo-2-(4-chloro-2-fluorophenyl)naphthalene
CID 154709386
2,7-Dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene
CID 154709390
9-Bromo-10-chloroanthracene
CID 14790560
4-Bromo-1-chloro-2-(trifluoromethyl)naphthalene
CID 84820277
1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene
CID 167713767
3-bromo-1-chloro-2-[(E)-2-phenylethenyl]naphthalene
CID 102300284
1-Bromo-4-chloro-2-fluoronaphthalene
CID 21501415
4-Bromo-1-chloro-2-fluoronaphthalene
CID 21501420
5-Bromo-1-chloro-2-(difluoromethyl)-3-(fluoromethyl)naphthalene
CID 69906388
5-Bromo-1-chloro-2-(dichloromethyl)-3-(fluoromethyl)naphthalene
CID 69906485
1-Bromo-4-[3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-2-enyl]naphthalene
CID 87555964

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene?
The IUPAC name of 4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene (CID 141434447) is 4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene.
What is the SMILES notation for 4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene?
The canonical SMILES for 4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene is Fc1c(Cl)cc(Br)cc1C=Cc1ccc2c(Cl)ccc(Br)c2c1.
What is the InChIKey of 4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene?
The InChIKey is OWUPCNKWUAPXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Br2Cl2F/c19-12-8-11(18(23)17(22)9-12)3-1-10-2-4-13-14(7-10)15(20)5-6-16(13)21/h1-9H.
What are the key properties of 4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene?
4-bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene has a molecular weight of 474.98 g/mol, XLogP of 7.98, 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-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene is sourced from PubChem (CID 141434447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).