1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine

C59H48N4O2 — CID 170061090

IUPAC1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine
SMILESC=Cc1ccc(COc2ccc(/N=C/c3ccc(/C=N/c4ccc(Cc5ccc(/N=C/c6ccc(/C=N/c7ccc(OCc8ccc(C=C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C59H48N4O2/c1-3-44-5-17-52(18-6-44)42-64-58-33-29-56(30-34-58)62-40-50-13-9-48(10-14-50)38-60-54-25-21-46(22-26-54)37-47-23-27-55(28-24-47)61-39-49-11-15-51(16-12-49)41-63-57-31-35-59(36-32-57)65-43-53-19-7-45(4-2)8-20-53/h3-36,38-41H,1-2,37,42-43H2/b60-38+,61-39+,62-40+,63-41+
InChIKeySSQZZBGMDNHRFC-XNTCTLHBSA-N
MW845.06 g/mol
LogP14.72
Rot. Bonds18

About 1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine

1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine (PubChem CID 170061090) has the molecular formula C59H48N4O2 and a molecular weight of 845.06 g/mol. Its IUPAC name is 1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine.

Molecular Properties

Compound Name1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine
PubChem CID170061090
Molecular FormulaC59H48N4O2
Molecular Weight845.06 g/mol
Exact Mass844.38
IUPAC Name1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine
SMILESC=Cc1ccc(COc2ccc(/N=C/c3ccc(/C=N/c4ccc(Cc5ccc(/N=C/c6ccc(/C=N/c7ccc(OCc8ccc(C=C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C59H48N4O2/c1-3-44-5-17-52(18-6-44)42-64-58-33-29-56(30-34-58)62-40-50-13-9-48(10-14-50)38-60-54-25-21-46(22-26-54)37-47-23-27-55(28-24-47)61-39-49-11-15-51(16-12-49)41-63-57-31-35-59(36-32-57)65-43-53-19-7-45(4-2)8-20-53/h3-36,38-41H,1-2,37,42-43H2/b60-38+,61-39+,62-40+,63-41+
InChIKeySSQZZBGMDNHRFC-XNTCTLHBSA-N
XLogP14.72
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine?
The IUPAC name of 1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine (CID 170061090) is 1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine.
What is the SMILES notation for 1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine?
The canonical SMILES for 1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine is C=Cc1ccc(COc2ccc(/N=C/c3ccc(/C=N/c4ccc(Cc5ccc(/N=C/c6ccc(/C=N/c7ccc(OCc8ccc(C=C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine?
The InChIKey is SSQZZBGMDNHRFC-XNTCTLHBSA-N. The full InChI is InChI=1S/C59H48N4O2/c1-3-44-5-17-52(18-6-44)42-64-58-33-29-56(30-34-58)62-40-50-13-9-48(10-14-50)38-60-54-25-21-46(22-26-54)37-47-23-27-55(28-24-47)61-39-49-11-15-51(16-12-49)41-63-57-31-35-59(36-32-57)65-43-53-19-7-45(4-2)8-20-53/h3-36,38-41H,1-2,37,42-43H2/b60-38+,61-39+,62-40+,63-41+.
What are the key properties of 1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine?
1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine has a molecular weight of 845.06 g/mol, XLogP of 14.72, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]-N-[4-[[4-[[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]methyl]phenyl]methanimine is sourced from PubChem (CID 170061090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).