2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene

C22H16Br2 — CID 4185815

IUPAC2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene
SMILESBrCc1ccc2ccccc2c1-c1c(CBr)ccc2ccccc12
InChIInChI=1S/C22H16Br2/c23-13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-24)12-10-16-6-2-4-8-20(16)22/h1-12H,13-14H2
InChIKeyVUUUEDHFRJQSSY-UHFFFAOYSA-N
MW440.18 g/mol
LogP7.45
Rot. Bonds3

About 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene

2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene (PubChem CID 4185815) has the molecular formula C22H16Br2 and a molecular weight of 440.18 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene
PubChem CID4185815
Molecular FormulaC22H16Br2
Molecular Weight440.18 g/mol
Exact Mass437.96
IUPAC Name2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene
SMILESBrCc1ccc2ccccc2c1-c1c(CBr)ccc2ccccc12
InChIInChI=1S/C22H16Br2/c23-13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-24)12-10-16-6-2-4-8-20(16)22/h1-12H,13-14H2
InChIKeyVUUUEDHFRJQSSY-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.18
LogP ≤ 57.45
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-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene?
The IUPAC name of 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene (CID 4185815) is 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene.
What is the SMILES notation for 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene?
The canonical SMILES for 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene is BrCc1ccc2ccccc2c1-c1c(CBr)ccc2ccccc12.
What is the InChIKey of 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene?
The InChIKey is VUUUEDHFRJQSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2/c23-13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-24)12-10-16-6-2-4-8-20(16)22/h1-12H,13-14H2.
What are the key properties of 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene?
2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene has a molecular weight of 440.18 g/mol, XLogP of 7.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 4185815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).