3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene

C22H14BrI — CID 71079311

IUPAC3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene
SMILESBrc1cc2ccccc2c(-c2ccccc2-c2ccccc2)c1I
InChIInChI=1S/C22H14BrI/c23-20-14-16-10-4-5-12-18(16)21(22(20)24)19-13-7-6-11-17(19)15-8-2-1-3-9-15/h1-14H
InChIKeyDFCZYVMVVJPHFX-UHFFFAOYSA-N
MW485.16 g/mol
LogP7.54
Rot. Bonds2

About 3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene

3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene (PubChem CID 71079311) has the molecular formula C22H14BrI and a molecular weight of 485.16 g/mol. Its IUPAC name is 3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene.

Molecular Properties

Compound Name3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene
PubChem CID71079311
Molecular FormulaC22H14BrI
Molecular Weight485.16 g/mol
Exact Mass483.93
IUPAC Name3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene
SMILESBrc1cc2ccccc2c(-c2ccccc2-c2ccccc2)c1I
InChIInChI=1S/C22H14BrI/c23-20-14-16-10-4-5-12-18(16)21(22(20)24)19-13-7-6-11-17(19)15-8-2-1-3-9-15/h1-14H
InChIKeyDFCZYVMVVJPHFX-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.16
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene?
The IUPAC name of 3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene (CID 71079311) is 3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene.
What is the SMILES notation for 3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene?
The canonical SMILES for 3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene is Brc1cc2ccccc2c(-c2ccccc2-c2ccccc2)c1I.
What is the InChIKey of 3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene?
The InChIKey is DFCZYVMVVJPHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrI/c23-20-14-16-10-4-5-12-18(16)21(22(20)24)19-13-7-6-11-17(19)15-8-2-1-3-9-15/h1-14H.
What are the key properties of 3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene?
3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene has a molecular weight of 485.16 g/mol, XLogP of 7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene is sourced from PubChem (CID 71079311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).