2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene

C17H11Br3 — CID 115354335

IUPAC2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene
SMILESBrc1ccc(C(Br)c2ccc3cc(Br)ccc3c2)cc1
InChIInChI=1S/C17H11Br3/c18-15-6-3-11(4-7-15)17(20)14-2-1-13-10-16(19)8-5-12(13)9-14/h1-10,17H
InChIKeyMVIBOXBDGAYGJF-UHFFFAOYSA-N
MW454.99 g/mol
LogP6.85
Rot. Bonds2

About 2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene

2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene (PubChem CID 115354335) has the molecular formula C17H11Br3 and a molecular weight of 454.99 g/mol. Its IUPAC name is 2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene
PubChem CID115354335
Molecular FormulaC17H11Br3
Molecular Weight454.99 g/mol
Exact Mass451.84
IUPAC Name2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene
SMILESBrc1ccc(C(Br)c2ccc3cc(Br)ccc3c2)cc1
InChIInChI=1S/C17H11Br3/c18-15-6-3-11(4-7-15)17(20)14-2-1-13-10-16(19)8-5-12(13)9-14/h1-10,17H
InChIKeyMVIBOXBDGAYGJF-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.99
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene?
The IUPAC name of 2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene (CID 115354335) is 2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene.
What is the SMILES notation for 2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene?
The canonical SMILES for 2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene is Brc1ccc(C(Br)c2ccc3cc(Br)ccc3c2)cc1.
What is the InChIKey of 2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene?
The InChIKey is MVIBOXBDGAYGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br3/c18-15-6-3-11(4-7-15)17(20)14-2-1-13-10-16(19)8-5-12(13)9-14/h1-10,17H.
What are the key properties of 2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene?
2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene has a molecular weight of 454.99 g/mol, XLogP of 6.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene is sourced from PubChem (CID 115354335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).