1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene

C21H14Br2 — CID 59060546

IUPAC1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene
SMILESBrc1ccc(Cc2ccc(Br)c3ccccc23)c2ccccc12
InChIInChI=1S/C21H14Br2/c22-20-11-9-14(16-5-1-3-7-18(16)20)13-15-10-12-21(23)19-8-4-2-6-17(15)19/h1-12H,13H2
InChIKeyVQNKMTRAKLFWLA-UHFFFAOYSA-N
MW426.15 g/mol
LogP7.11
Rot. Bonds2

About 1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene

1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene (PubChem CID 59060546) has the molecular formula C21H14Br2 and a molecular weight of 426.15 g/mol. Its IUPAC name is 1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene
PubChem CID59060546
Molecular FormulaC21H14Br2
Molecular Weight426.15 g/mol
Exact Mass423.95
IUPAC Name1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene
SMILESBrc1ccc(Cc2ccc(Br)c3ccccc23)c2ccccc12
InChIInChI=1S/C21H14Br2/c22-20-11-9-14(16-5-1-3-7-18(16)20)13-15-10-12-21(23)19-8-4-2-6-17(15)19/h1-12H,13H2
InChIKeyVQNKMTRAKLFWLA-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.15
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dibromonaphthalene
CID 162208061
N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine
CID 171127319
1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
CID 4530279
1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine
CID 171127320
1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene
CID 172751117
2-bromo-3-(4-bromonaphthalen-1-yl)propanamide
CID 104513098
4-bromonaphthalen-1-ol
CID 575609
1-bromo-5-(2-bromoethyl)naphthalene
CID 174470711
7-[(4-bromonaphthalen-1-yl)methyl]-8-cyclopropyl-3-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 144746433
(5-bromonaphthalen-1-yl)methyl-triphenylphosphanium
CID 131887795
8-benzyl-5-bromoquinoline
CID 53421162
CID 66760372
CID 66760372

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene?
The IUPAC name of 1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene (CID 59060546) is 1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene?
The canonical SMILES for 1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene is Brc1ccc(Cc2ccc(Br)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene?
The InChIKey is VQNKMTRAKLFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Br2/c22-20-11-9-14(16-5-1-3-7-18(16)20)13-15-10-12-21(23)19-8-4-2-6-17(15)19/h1-12H,13H2.
What are the key properties of 1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene?
1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene has a molecular weight of 426.15 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene is sourced from PubChem (CID 59060546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).