1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene

C28H18Br4O2 — CID 59168529

IUPAC1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene
SMILESBrc1ccc2c(Br)c(OCc3ccc(COc4ccc5cc(Br)ccc5c4Br)cc3)ccc2c1
InChIInChI=1S/C28H18Br4O2/c29-21-7-9-23-19(13-21)5-11-25(27(23)31)33-15-17-1-2-18(4-3-17)16-34-26-12-6-20-14-22(30)8-10-24(20)28(26)32/h1-14H,15-16H2
InChIKeyZESHVFRKHKFMPC-UHFFFAOYSA-N
MW706.07 g/mol
LogP10.20
Rot. Bonds6

About 1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene

1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene (PubChem CID 59168529) has the molecular formula C28H18Br4O2 and a molecular weight of 706.07 g/mol. Its IUPAC name is 1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene.

Molecular Properties

Compound Name1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene
PubChem CID59168529
Molecular FormulaC28H18Br4O2
Molecular Weight706.07 g/mol
Exact Mass701.80
IUPAC Name1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene
SMILESBrc1ccc2c(Br)c(OCc3ccc(COc4ccc5cc(Br)ccc5c4Br)cc3)ccc2c1
InChIInChI=1S/C28H18Br4O2/c29-21-7-9-23-19(13-21)5-11-25(27(23)31)33-15-17-1-2-18(4-3-17)16-34-26-12-6-20-14-22(30)8-10-24(20)28(26)32/h1-14H,15-16H2
InChIKeyZESHVFRKHKFMPC-UHFFFAOYSA-N
XLogP10.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.07
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene
CID 134843780
[4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol
CID 171652153
4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine
CID 56830685
1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene
CID 78909521
1-(1,6-dibromonaphthalen-2-yl)oxy-3-phenoxypropan-2-ol
CID 59342996
1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60623254
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950
2-(1,6-dibromonaphthalen-2-yl)oxy-1-pyrrolidin-1-ylethanone
CID 3330511
(4-methoxyphenyl) 2-(1,6-dibromonaphthalen-2-yl)oxyacetate
CID 3454697
2-(2-bromo-4-ethylphenoxy)-N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]acetamide
CID 3255660
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloroaniline
CID 63460675
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide
CID 3335299

Frequently Asked Questions

What is the IUPAC name of 1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene?
The IUPAC name of 1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene (CID 59168529) is 1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene.
What is the SMILES notation for 1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene?
The canonical SMILES for 1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene is Brc1ccc2c(Br)c(OCc3ccc(COc4ccc5cc(Br)ccc5c4Br)cc3)ccc2c1.
What is the InChIKey of 1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene?
The InChIKey is ZESHVFRKHKFMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Br4O2/c29-21-7-9-23-19(13-21)5-11-25(27(23)31)33-15-17-1-2-18(4-3-17)16-34-26-12-6-20-14-22(30)8-10-24(20)28(26)32/h1-14H,15-16H2.
What are the key properties of 1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene?
1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene has a molecular weight of 706.07 g/mol, XLogP of 10.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene is sourced from PubChem (CID 59168529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).