2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene

C22H16N2O6 — CID 71347660

IUPAC2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene
SMILESCOc1ccc2cc([N+](=O)[O-])ccc2c1-c1c(OC)ccc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C22H16N2O6/c1-29-19-9-3-13-11-15(23(25)26)5-7-17(13)21(19)22-18-8-6-16(24(27)28)12-14(18)4-10-20(22)30-2/h3-12H,1-2H3
InChIKeyWINHFOUDGSNJAZ-UHFFFAOYSA-N
MW404.38 g/mol
LogP5.49
Rot. Bonds5

About 2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene

2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene (PubChem CID 71347660) has the molecular formula C22H16N2O6 and a molecular weight of 404.38 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene
PubChem CID71347660
Molecular FormulaC22H16N2O6
Molecular Weight404.38 g/mol
Exact Mass404.10
IUPAC Name2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene
SMILESCOc1ccc2cc([N+](=O)[O-])ccc2c1-c1c(OC)ccc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C22H16N2O6/c1-29-19-9-3-13-11-15(23(25)26)5-7-17(13)21(19)22-18-8-6-16(24(27)28)12-14(18)4-10-20(22)30-2/h3-12H,1-2H3
InChIKeyWINHFOUDGSNJAZ-UHFFFAOYSA-N
XLogP5.49
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.38
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[1-[2-[3-(2-amino-5-nitrophenoxy)propoxy]-6-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]oxypropoxy]benzene-1,4-diamine
CID 143535451
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361
9-methoxy-2-methyl-7-nitroanthracene
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2-methoxy-4-nitrobenzenethiol
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1,3-dimethoxy-2-(2-methyl-5-nitrophenyl)benzene
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4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
1,2,6-trinitronaphthalene
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ethane;2-methoxy-4-nitrophenol
CID 91188946
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CID 87090189
2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113892
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
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CID 67791241

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene?
The IUPAC name of 2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene (CID 71347660) is 2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene.
What is the SMILES notation for 2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene?
The canonical SMILES for 2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene is COc1ccc2cc([N+](=O)[O-])ccc2c1-c1c(OC)ccc2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene?
The InChIKey is WINHFOUDGSNJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O6/c1-29-19-9-3-13-11-15(23(25)26)5-7-17(13)21(19)22-18-8-6-16(24(27)28)12-14(18)4-10-20(22)30-2/h3-12H,1-2H3.
What are the key properties of 2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene?
2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene has a molecular weight of 404.38 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene is sourced from PubChem (CID 71347660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).