1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine

C56H54N2O8 — CID 139257954

IUPAC1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine
SMILESCOCOc1ccc2ccccc2c1-c1c(OCOC)c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc3ccccc3c(-c3c(OCOC)ccc4ccccc34)c2OCOC)cc2ccccc12
InChIInChI=1S/C56H54N2O8/c1-59-33-63-49-27-25-37-15-5-9-19-43(37)51(49)53-45-21-11-7-17-39(45)29-41(55(53)65-35-61-3)31-57-47-23-13-14-24-48(47)58-32-42-30-40-18-8-12-22-46(40)54(56(42)66-36-62-4)52-44-20-10-6-16-38(44)26-28-50(52)64-34-60-2/h5-12,15-22,25-32,47-48H,13-14,23-24,33-36H2,1-4H3/b57-31+,58-32+/t47-,48-/m0/s1
InChIKeyYKXUFPAEJSJZHN-RJFHDDLASA-N
MW883.05 g/mol
LogP12.41
Rot. Bonds18

About 1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine

1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine (PubChem CID 139257954) has the molecular formula C56H54N2O8 and a molecular weight of 883.05 g/mol. Its IUPAC name is 1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine.

Molecular Properties

Compound Name1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine
PubChem CID139257954
Molecular FormulaC56H54N2O8
Molecular Weight883.05 g/mol
Exact Mass882.39
IUPAC Name1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine
SMILESCOCOc1ccc2ccccc2c1-c1c(OCOC)c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc3ccccc3c(-c3c(OCOC)ccc4ccccc34)c2OCOC)cc2ccccc12
InChIInChI=1S/C56H54N2O8/c1-59-33-63-49-27-25-37-15-5-9-19-43(37)51(49)53-45-21-11-7-17-39(45)29-41(55(53)65-35-61-3)31-57-47-23-13-14-24-48(47)58-32-42-30-40-18-8-12-22-46(40)54(56(42)66-36-62-4)52-44-20-10-6-16-38(44)26-28-50(52)64-34-60-2/h5-12,15-22,25-32,47-48H,13-14,23-24,33-36H2,1-4H3/b57-31+,58-32+/t47-,48-/m0/s1
InChIKeyYKXUFPAEJSJZHN-RJFHDDLASA-N
XLogP12.41
TPSA98.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.05
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine?
The IUPAC name of 1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine (CID 139257954) is 1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine.
What is the SMILES notation for 1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine?
The canonical SMILES for 1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine is COCOc1ccc2ccccc2c1-c1c(OCOC)c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc3ccccc3c(-c3c(OCOC)ccc4ccccc34)c2OCOC)cc2ccccc12.
What is the InChIKey of 1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine?
The InChIKey is YKXUFPAEJSJZHN-RJFHDDLASA-N. The full InChI is InChI=1S/C56H54N2O8/c1-59-33-63-49-27-25-37-15-5-9-19-43(37)51(49)53-45-21-11-7-17-39(45)29-41(55(53)65-35-61-3)31-57-47-23-13-14-24-48(47)58-32-42-30-40-18-8-12-22-46(40)54(56(42)66-36-62-4)52-44-20-10-6-16-38(44)26-28-50(52)64-34-60-2/h5-12,15-22,25-32,47-48H,13-14,23-24,33-36H2,1-4H3/b57-31+,58-32+/t47-,48-/m0/s1.
What are the key properties of 1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine?
1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine has a molecular weight of 883.05 g/mol, XLogP of 12.41, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]-N-[(1S,2S)-2-[[3-(methoxymethoxy)-4-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methylideneamino]cyclohexyl]methanimine is sourced from PubChem (CID 139257954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).