1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine

C41H36N4O2 — CID 143027534

IUPAC1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine
SMILESC(=N/c1ccc(Cc2ccc(/N=C/c3ccc(OCCc4ccccc4)cn3)cc2)cc1)\c1ccc(OCCc2ccccc2)cn1
InChIInChI=1S/C41H36N4O2/c1-3-7-32(8-4-1)23-25-46-40-21-19-38(44-30-40)28-42-36-15-11-34(12-16-36)27-35-13-17-37(18-14-35)43-29-39-20-22-41(31-45-39)47-26-24-33-9-5-2-6-10-33/h1-22,28-31H,23-27H2/b42-28+,43-29+
InChIKeyRTEXGOBGSPJTNL-BITFRASFSA-N
MW616.77 g/mol
LogP8.81
Rot. Bonds14

About 1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine

1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine (PubChem CID 143027534) has the molecular formula C41H36N4O2 and a molecular weight of 616.77 g/mol. Its IUPAC name is 1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine.

Molecular Properties

Compound Name1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine
PubChem CID143027534
Molecular FormulaC41H36N4O2
Molecular Weight616.77 g/mol
Exact Mass616.28
IUPAC Name1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine
SMILESC(=N/c1ccc(Cc2ccc(/N=C/c3ccc(OCCc4ccccc4)cn3)cc2)cc1)\c1ccc(OCCc2ccccc2)cn1
InChIInChI=1S/C41H36N4O2/c1-3-7-32(8-4-1)23-25-46-40-21-19-38(44-30-40)28-42-36-15-11-34(12-16-36)27-35-13-17-37(18-14-35)43-29-39-20-22-41(31-45-39)47-26-24-33-9-5-2-6-10-33/h1-22,28-31H,23-27H2/b42-28+,43-29+
InChIKeyRTEXGOBGSPJTNL-BITFRASFSA-N
XLogP8.81
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3-phenylpropoxy)pyridine-2-carbaldehyde
CID 79794594
1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine
CID 71335504
2-tert-butyl-5-(2-phenylethoxy)pyridine
CID 20709511
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
N-hydroxy-N'-[4-(3-phenylpropoxy)phenyl]methanimidamide
CID 20763545
5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde
CID 79793881
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
4-(2-phenylethoxy)-1H-pyrazole
CID 138985948
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
(2S)-2-[[5-[5-[[6-[[(1S)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol
CID 53491370
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine?
The IUPAC name of 1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine (CID 143027534) is 1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine.
What is the SMILES notation for 1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine?
The canonical SMILES for 1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine is C(=N/c1ccc(Cc2ccc(/N=C/c3ccc(OCCc4ccccc4)cn3)cc2)cc1)\c1ccc(OCCc2ccccc2)cn1.
What is the InChIKey of 1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine?
The InChIKey is RTEXGOBGSPJTNL-BITFRASFSA-N. The full InChI is InChI=1S/C41H36N4O2/c1-3-7-32(8-4-1)23-25-46-40-21-19-38(44-30-40)28-42-36-15-11-34(12-16-36)27-35-13-17-37(18-14-35)43-29-39-20-22-41(31-45-39)47-26-24-33-9-5-2-6-10-33/h1-22,28-31H,23-27H2/b42-28+,43-29+.
What are the key properties of 1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine?
1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine has a molecular weight of 616.77 g/mol, XLogP of 8.81, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine is sourced from PubChem (CID 143027534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).