N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine)

C92H88N8O2 — CID 159253183

IUPACN,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine)
SMILESCCCOCCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1.Cc1ccc(C2C/C(=N\c3ccccc3)N2c2ccccc2)cc1.Cc1ccc(C2C/C(=N\c3ccccc3)N2c2ccccc2)cc1.Cc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C26H28N2O2.3C22H20N2/c1-2-17-29-18-19-30-24-15-13-23(14-16-24)28-25(21-9-5-3-6-10-21)20-26(28)27-22-11-7-4-8-12-22;2*1-17-12-14-18(15-13-17)21-16-22(23-19-8-4-2-5-9-19)24(21)20-10-6-3-7-11-20;1-17-12-14-20(15-13-17)24-21(18-8-4-2-5-9-18)16-22(24)23-19-10-6-3-7-11-19/h3-16,25H,2,17-20H2,1H3;3*2-15,21H,16H2,1H3/b27-26+;3*23-22+
InChIKeyKVOGAZOPBRARLW-DVQJIHHASA-N
MW1337.77 g/mol
LogP23.20
Rot. Bonds18

About N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine)

N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine) (PubChem CID 159253183) has the molecular formula C92H88N8O2 and a molecular weight of 1337.77 g/mol. Its IUPAC name is N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine).

Molecular Properties

Compound NameN,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine)
PubChem CID159253183
Molecular FormulaC92H88N8O2
Molecular Weight1337.77 g/mol
Exact Mass1336.70
IUPAC NameN,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine)
SMILESCCCOCCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1.Cc1ccc(C2C/C(=N\c3ccccc3)N2c2ccccc2)cc1.Cc1ccc(C2C/C(=N\c3ccccc3)N2c2ccccc2)cc1.Cc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C26H28N2O2.3C22H20N2/c1-2-17-29-18-19-30-24-15-13-23(14-16-24)28-25(21-9-5-3-6-10-21)20-26(28)27-22-11-7-4-8-12-22;2*1-17-12-14-18(15-13-17)21-16-22(23-19-8-4-2-5-9-19)24(21)20-10-6-3-7-11-20;1-17-12-14-20(15-13-17)24-21(18-8-4-2-5-9-18)16-22(24)23-19-10-6-3-7-11-19/h3-16,25H,2,17-20H2,1H3;3*2-15,21H,16H2,1H3/b27-26+;3*23-22+
InChIKeyKVOGAZOPBRARLW-DVQJIHHASA-N
XLogP23.20
TPSA80.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001337.77
LogP ≤ 523.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine) with MolForge

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Related Compounds

2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol
CID 137498449
1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702629
(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 164624389
2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol
CID 170238899
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine
CID 159025355
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071790
1-phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104
2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-dioxolane
CID 19989572

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine)?
The IUPAC name of N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine) (CID 159253183) is N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine).
What is the SMILES notation for N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine)?
The canonical SMILES for N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine) is CCCOCCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1.Cc1ccc(C2C/C(=N\c3ccccc3)N2c2ccccc2)cc1.Cc1ccc(C2C/C(=N\c3ccccc3)N2c2ccccc2)cc1.Cc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine)?
The InChIKey is KVOGAZOPBRARLW-DVQJIHHASA-N. The full InChI is InChI=1S/C26H28N2O2.3C22H20N2/c1-2-17-29-18-19-30-24-15-13-23(14-16-24)28-25(21-9-5-3-6-10-21)20-26(28)27-22-11-7-4-8-12-22;2*1-17-12-14-18(15-13-17)21-16-22(23-19-8-4-2-5-9-19)24(21)20-10-6-3-7-11-20;1-17-12-14-20(15-13-17)24-21(18-8-4-2-5-9-18)16-22(24)23-19-10-6-3-7-11-19/h3-16,25H,2,17-20H2,1H3;3*2-15,21H,16H2,1H3/b27-26+;3*23-22+.
What are the key properties of N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine)?
N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine) has a molecular weight of 1337.77 g/mol, XLogP of 23.20, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine) is sourced from PubChem (CID 159253183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).