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

C17H10Br3Cl — CID 107980964

IUPAC1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
SMILESClC(c1cc(Br)cc(Br)c1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H10Br3Cl/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
InChIKeyMNBPIPGMQRTNCU-UHFFFAOYSA-N
MW489.43 g/mol
LogP7.46
Rot. Bonds2

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

1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene (PubChem CID 107980964) has the molecular formula C17H10Br3Cl and a molecular weight of 489.43 g/mol. Its IUPAC name is 1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
PubChem CID107980964
Molecular FormulaC17H10Br3Cl
Molecular Weight489.43 g/mol
Exact Mass485.80
IUPAC Name1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
SMILESClC(c1cc(Br)cc(Br)c1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H10Br3Cl/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
InChIKeyMNBPIPGMQRTNCU-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.43
LogP ≤ 57.46
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 1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene?
The IUPAC name of 1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene (CID 107980964) is 1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene?
The canonical SMILES for 1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene is ClC(c1cc(Br)cc(Br)c1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene?
The InChIKey is MNBPIPGMQRTNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br3Cl/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-[chloro-(3,5-dibromophenyl)methyl]naphthalene?
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene has a molecular weight of 489.43 g/mol, XLogP of 7.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene is sourced from PubChem (CID 107980964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).