1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene

C18H13Br3 — CID 114375566

IUPAC1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene
SMILESBrc1ccc(Br)c(C(Br)Cc2cccc3ccccc23)c1
InChIInChI=1S/C18H13Br3/c19-14-8-9-17(20)16(11-14)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,18H,10H2
InChIKeyJDGQTWPAVOUDQU-UHFFFAOYSA-N
MW469.01 g/mol
LogP7.04
Rot. Bonds3

About 1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene

1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene (PubChem CID 114375566) has the molecular formula C18H13Br3 and a molecular weight of 469.01 g/mol. Its IUPAC name is 1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene
PubChem CID114375566
Molecular FormulaC18H13Br3
Molecular Weight469.01 g/mol
Exact Mass465.86
IUPAC Name1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene
SMILESBrc1ccc(Br)c(C(Br)Cc2cccc3ccccc23)c1
InChIInChI=1S/C18H13Br3/c19-14-8-9-17(20)16(11-14)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,18H,10H2
InChIKeyJDGQTWPAVOUDQU-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.01
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-bromo-2-(2-bromo-5-methylphenyl)ethyl]naphthalene
CID 81116817
2,5-dibromo-3-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965769
2-bromo-3-(1-bromo-2-naphthalen-1-ylethyl)furan
CID 106856014
1-[2-bromo-2-(4-bromo-3-chlorophenyl)ethyl]naphthalene
CID 81294123
(2,5-dibromophenyl)-naphthalen-1-ylmethanamine
CID 43108974
1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene
CID 63544130
1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
CID 81476246
2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965768
1-[2-(4-bromo-2-methylphenyl)-2-chloroethyl]naphthalene
CID 63519350
1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
CID 63543264
5-(1-bromo-2-naphthalen-1-ylethyl)-2,3-dimethylthiophene
CID 65238268
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine
CID 105139176

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene?
The IUPAC name of 1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene (CID 114375566) is 1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene?
The canonical SMILES for 1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene is Brc1ccc(Br)c(C(Br)Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene?
The InChIKey is JDGQTWPAVOUDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br3/c19-14-8-9-17(20)16(11-14)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,18H,10H2.
What are the key properties of 1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene?
1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene has a molecular weight of 469.01 g/mol, XLogP of 7.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-2-(2,5-dibromophenyl)ethyl]naphthalene is sourced from PubChem (CID 114375566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).