1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine

C36H28N2O2 — CID 11519235

IUPAC1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
SMILESCOc1ccccc1/C=N/c1ccc2ccccc2c1-c1c(/N=C/c2ccccc2OC)ccc2ccccc12
InChIInChI=1S/C36H28N2O2/c1-39-33-17-9-5-13-27(33)23-37-31-21-19-25-11-3-7-15-29(25)35(31)36-30-16-8-4-12-26(30)20-22-32(36)38-24-28-14-6-10-18-34(28)40-2/h3-24H,1-2H3/b37-23+,38-24+
InChIKeyGNLLTOLLQHBTJQ-DNJOOXRZSA-N
MW520.63 g/mol
LogP9.18
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine

1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine (PubChem CID 11519235) has the molecular formula C36H28N2O2 and a molecular weight of 520.63 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
PubChem CID11519235
Molecular FormulaC36H28N2O2
Molecular Weight520.63 g/mol
Exact Mass520.22
IUPAC Name1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
SMILESCOc1ccccc1/C=N/c1ccc2ccccc2c1-c1c(/N=C/c2ccccc2OC)ccc2ccccc12
InChIInChI=1S/C36H28N2O2/c1-39-33-17-9-5-13-27(33)23-37-31-21-19-25-11-3-7-15-29(25)35(31)36-30-16-8-4-12-26(30)20-22-32(36)38-24-28-14-6-10-18-34(28)40-2/h3-24H,1-2H3/b37-23+,38-24+
InChIKeyGNLLTOLLQHBTJQ-DNJOOXRZSA-N
XLogP9.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460
2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
CID 136677845
2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
CID 135414322
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11285131
1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol
CID 136697424
1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
CID 10637187
(E)-N-ethoxy-1-(2-methoxyphenyl)methanimine
CID 11378847
bis(dimethylazanide);bis(N-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-1-pyrrol-1-id-2-ylmethanimine);toluene;zirconium(4+)
CID 139151226
1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11114666
N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine
CID 4644937

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine (CID 11519235) is 1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine is COc1ccccc1/C=N/c1ccc2ccccc2c1-c1c(/N=C/c2ccccc2OC)ccc2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The InChIKey is GNLLTOLLQHBTJQ-DNJOOXRZSA-N. The full InChI is InChI=1S/C36H28N2O2/c1-39-33-17-9-5-13-27(33)23-37-31-21-19-25-11-3-7-15-29(25)35(31)36-30-16-8-4-12-26(30)20-22-32(36)38-24-28-14-6-10-18-34(28)40-2/h3-24H,1-2H3/b37-23+,38-24+.
What are the key properties of 1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine has a molecular weight of 520.63 g/mol, XLogP of 9.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine is sourced from PubChem (CID 11519235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).