[4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol

C36H27Br2NO4 — CID 171652153

IUPAC[4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol
SMILESO=NCc1ccc(COc2ccc3cc(Br)ccc3c2-c2c(OCc3ccc(CO)cc3)ccc3cc(Br)ccc23)cc1
InChIInChI=1S/C36H27Br2NO4/c37-29-11-13-31-27(17-29)9-15-33(42-21-25-5-1-23(2-6-25)19-39-41)35(31)36-32-14-12-30(38)18-28(32)10-16-34(36)43-22-26-7-3-24(20-40)4-8-26/h1-18,40H,19-22H2
InChIKeyZIOKDXSYXJGXJT-UHFFFAOYSA-N
MW697.42 g/mol
LogP10.10
Rot. Bonds10

About [4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol

[4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol (PubChem CID 171652153) has the molecular formula C36H27Br2NO4 and a molecular weight of 697.42 g/mol. Its IUPAC name is [4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol
PubChem CID171652153
Molecular FormulaC36H27Br2NO4
Molecular Weight697.42 g/mol
Exact Mass695.03
IUPAC Name[4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol
SMILESO=NCc1ccc(COc2ccc3cc(Br)ccc3c2-c2c(OCc3ccc(CO)cc3)ccc3cc(Br)ccc23)cc1
InChIInChI=1S/C36H27Br2NO4/c37-29-11-13-31-27(17-29)9-15-33(42-21-25-5-1-23(2-6-25)19-39-41)35(31)36-32-14-12-30(38)18-28(32)10-16-34(36)43-22-26-7-3-24(20-40)4-8-26/h1-18,40H,19-22H2
InChIKeyZIOKDXSYXJGXJT-UHFFFAOYSA-N
XLogP10.10
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.42
LogP ≤ 510.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene
CID 59168529
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene
CID 134843780
6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene
CID 86206500
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588
(6-bromophenanthren-2-yl)methanol
CID 15159139
6-bromo-1-(6-bromo-2-dodecoxynaphthalen-1-yl)-2-dodecoxynaphthalene
CID 102477251
2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 169258581
5-(nitrosomethyl)-2-phenylmethoxybenzoic acid
CID 57013036
2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
CID 11227562
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
4-[(2,4-dibromophenoxy)methyl]benzoic acid
CID 43235934

Frequently Asked Questions

What is the IUPAC name of [4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol?
The IUPAC name of [4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol (CID 171652153) is [4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol.
What is the SMILES notation for [4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol?
The canonical SMILES for [4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol is O=NCc1ccc(COc2ccc3cc(Br)ccc3c2-c2c(OCc3ccc(CO)cc3)ccc3cc(Br)ccc23)cc1.
What is the InChIKey of [4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol?
The InChIKey is ZIOKDXSYXJGXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27Br2NO4/c37-29-11-13-31-27(17-29)9-15-33(42-21-25-5-1-23(2-6-25)19-39-41)35(31)36-32-14-12-30(38)18-28(32)10-16-34(36)43-22-26-7-3-24(20-40)4-8-26/h1-18,40H,19-22H2.
What are the key properties of [4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol?
[4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol has a molecular weight of 697.42 g/mol, XLogP of 10.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol is sourced from PubChem (CID 171652153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).