1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene

C17H10Br4 — CID 107980963

IUPAC1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene
SMILESBrc1cc(Br)cc(C(Br)c2ccc(Br)c3ccccc23)c1
InChIInChI=1S/C17H10Br4/c18-11-7-10(8-12(19)9-11)17(21)15-5-6-16(20)14-4-2-1-3-13(14)15/h1-9,17H
InChIKeyJLNXQEFGVHKMRK-UHFFFAOYSA-N
MW533.88 g/mol
LogP7.61
Rot. Bonds2

About 1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene

1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene (PubChem CID 107980963) has the molecular formula C17H10Br4 and a molecular weight of 533.88 g/mol. Its IUPAC name is 1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene
PubChem CID107980963
Molecular FormulaC17H10Br4
Molecular Weight533.88 g/mol
Exact Mass529.75
IUPAC Name1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene
SMILESBrc1cc(Br)cc(C(Br)c2ccc(Br)c3ccccc23)c1
InChIInChI=1S/C17H10Br4/c18-11-7-10(8-12(19)9-11)17(21)15-5-6-16(20)14-4-2-1-3-13(14)15/h1-9,17H
InChIKeyJLNXQEFGVHKMRK-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.88
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol
CID 79597081
1-bromo-4-[bromo-(3-chloro-4-methylphenyl)methyl]naphthalene
CID 79590704
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 79590884
1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene
CID 79590922
1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene
CID 79590906
1,4-dibromonaphthalene
CID 162208061
1-bromo-4-[bromo-(5-fluoro-2-methylphenyl)methyl]naphthalene
CID 79590900
(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 79589918
1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
CID 79593014
2-[bromo-(4-bromonaphthalen-1-yl)methyl]-3-methylfuran
CID 79597785
(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene?
The IUPAC name of 1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene (CID 107980963) is 1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene?
The canonical SMILES for 1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene is Brc1cc(Br)cc(C(Br)c2ccc(Br)c3ccccc23)c1.
What is the InChIKey of 1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene?
The InChIKey is JLNXQEFGVHKMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br4/c18-11-7-10(8-12(19)9-11)17(21)15-5-6-16(20)14-4-2-1-3-13(14)15/h1-9,17H.
What are the key properties of 1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene?
1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene has a molecular weight of 533.88 g/mol, XLogP of 7.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene is sourced from PubChem (CID 107980963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).