1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine

C63H62N6O8 — CID 101153259

IUPAC1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine
SMILESCOc1ccc(/N=N/c2ccc(OCCCOc3ccc(/C=N/c4ccc(OCCCCCOc5ccc(/N=C/c6ccc(OCCCOc7ccc(/N=N/c8ccc(OC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C63H62N6O8/c1-70-56-28-16-52(17-29-56)66-68-54-20-36-62(37-21-54)76-44-6-42-74-58-24-8-48(9-25-58)46-64-50-12-32-60(33-13-50)72-40-4-3-5-41-73-61-34-14-51(15-35-61)65-47-49-10-26-59(27-11-49)75-43-7-45-77-63-38-22-55(23-39-63)69-67-53-18-30-57(71-2)31-19-53/h8-39,46-47H,3-7,40-45H2,1-2H3/b64-46+,65-47+,68-66+,69-67+
InChIKeyUKBXPHZBPVWYFO-QYCMNGORSA-N
MW1031.22 g/mol
LogP16.36
Rot. Bonds30

About 1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine

1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine (PubChem CID 101153259) has the molecular formula C63H62N6O8 and a molecular weight of 1031.22 g/mol. Its IUPAC name is 1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine.

Molecular Properties

Compound Name1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine
PubChem CID101153259
Molecular FormulaC63H62N6O8
Molecular Weight1031.22 g/mol
Exact Mass1030.46
IUPAC Name1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine
SMILESCOc1ccc(/N=N/c2ccc(OCCCOc3ccc(/C=N/c4ccc(OCCCCCOc5ccc(/N=C/c6ccc(OCCCOc7ccc(/N=N/c8ccc(OC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C63H62N6O8/c1-70-56-28-16-52(17-29-56)66-68-54-20-36-62(37-21-54)76-44-6-42-74-58-24-8-48(9-25-58)46-64-50-12-32-60(33-13-50)72-40-4-3-5-41-73-61-34-14-51(15-35-61)65-47-49-10-26-59(27-11-49)75-43-7-45-77-63-38-22-55(23-39-63)69-67-53-18-30-57(71-2)31-19-53/h8-39,46-47H,3-7,40-45H2,1-2H3/b64-46+,65-47+,68-66+,69-67+
InChIKeyUKBXPHZBPVWYFO-QYCMNGORSA-N
XLogP16.36
TPSA148.00 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001031.22
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine with MolForge

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Related Compounds

N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748
7-[4-[(4-butoxyphenyl)iminomethyl]phenoxy]heptyl-trimethylazanium
CID 102068165

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine?
The IUPAC name of 1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine (CID 101153259) is 1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine.
What is the SMILES notation for 1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine?
The canonical SMILES for 1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine is COc1ccc(/N=N/c2ccc(OCCCOc3ccc(/C=N/c4ccc(OCCCCCOc5ccc(/N=C/c6ccc(OCCCOc7ccc(/N=N/c8ccc(OC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine?
The InChIKey is UKBXPHZBPVWYFO-QYCMNGORSA-N. The full InChI is InChI=1S/C63H62N6O8/c1-70-56-28-16-52(17-29-56)66-68-54-20-36-62(37-21-54)76-44-6-42-74-58-24-8-48(9-25-58)46-64-50-12-32-60(33-13-50)72-40-4-3-5-41-73-61-34-14-51(15-35-61)65-47-49-10-26-59(27-11-49)75-43-7-45-77-63-38-22-55(23-39-63)69-67-53-18-30-57(71-2)31-19-53/h8-39,46-47H,3-7,40-45H2,1-2H3/b64-46+,65-47+,68-66+,69-67+.
What are the key properties of 1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine?
1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine has a molecular weight of 1031.22 g/mol, XLogP of 16.36, 30 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine is sourced from PubChem (CID 101153259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).