N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine

C43H40N4O2 — CID 56597808

IUPACN-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/[C@@H](COCc1ccc(Cc2ccc(COC[C@H](/N=C/c3ccccn3)c3ccccc3)cc2)cc1)c1ccccc1)\c1ccccn1
InChIInChI=1S/C43H40N4O2/c1-3-11-38(12-4-1)42(46-28-40-15-7-9-25-44-40)32-48-30-36-21-17-34(18-22-36)27-35-19-23-37(24-20-35)31-49-33-43(39-13-5-2-6-14-39)47-29-41-16-8-10-26-45-41/h1-26,28-29,42-43H,27,30-33H2/b46-28+,47-29+/t42-,43-/m0/s1
InChIKeyAZLRKOMVQKZXRG-FZIXGVBKSA-N
MW644.82 g/mol
LogP8.82
Rot. Bonds16

About N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine

N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine (PubChem CID 56597808) has the molecular formula C43H40N4O2 and a molecular weight of 644.82 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine
PubChem CID56597808
Molecular FormulaC43H40N4O2
Molecular Weight644.82 g/mol
Exact Mass644.32
IUPAC NameN-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/[C@@H](COCc1ccc(Cc2ccc(COC[C@H](/N=C/c3ccccn3)c3ccccc3)cc2)cc1)c1ccccc1)\c1ccccn1
InChIInChI=1S/C43H40N4O2/c1-3-11-38(12-4-1)42(46-28-40-15-7-9-25-44-40)32-48-30-36-21-17-34(18-22-36)27-35-19-23-37(24-20-35)31-49-33-43(39-13-5-2-6-14-39)47-29-41-16-8-10-26-45-41/h1-26,28-29,42-43H,27,30-33H2/b46-28+,47-29+/t42-,43-/m0/s1
InChIKeyAZLRKOMVQKZXRG-FZIXGVBKSA-N
XLogP8.82
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.82
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine (CID 56597808) is N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine is C(=N/[C@@H](COCc1ccc(Cc2ccc(COC[C@H](/N=C/c3ccccn3)c3ccccc3)cc2)cc1)c1ccccc1)\c1ccccn1.
What is the InChIKey of N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine?
The InChIKey is AZLRKOMVQKZXRG-FZIXGVBKSA-N. The full InChI is InChI=1S/C43H40N4O2/c1-3-11-38(12-4-1)42(46-28-40-15-7-9-25-44-40)32-48-30-36-21-17-34(18-22-36)27-35-19-23-37(24-20-35)31-49-33-43(39-13-5-2-6-14-39)47-29-41-16-8-10-26-45-41/h1-26,28-29,42-43H,27,30-33H2/b46-28+,47-29+/t42-,43-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine?
N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine has a molecular weight of 644.82 g/mol, XLogP of 8.82, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-[[4-[[4-[[(2R)-2-phenyl-2-(pyridin-2-ylmethylideneamino)ethoxy]methyl]phenyl]methyl]phenyl]methoxy]ethyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 56597808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).