1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine

C51H54N6O6Si3 — CID 10396053

IUPAC1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine
SMILESCO[Si](C)(C)c1ccc(/N=C/c2ccc(Oc3nc(Oc4ccc(/C=N/c5ccc([Si](C)(C)OC)cc5)cc4)nc(Oc4ccc(/C=N/c5ccc([Si](C)(C)OC)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C51H54N6O6Si3/c1-58-64(4,5)46-28-16-40(17-29-46)52-34-37-10-22-43(23-11-37)61-49-55-50(62-44-24-12-38(13-25-44)35-53-41-18-30-47(31-19-41)65(6,7)59-2)57-51(56-49)63-45-26-14-39(15-27-45)36-54-42-20-32-48(33-21-42)66(8,9)60-3/h10-36H,1-9H3/b52-34+,53-35+,54-36+
InChIKeyZFBNJFNOSDJXNP-AJEAHFMYSA-N
MW931.29 g/mol
LogP10.68
Rot. Bonds18

About 1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine

1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine (PubChem CID 10396053) has the molecular formula C51H54N6O6Si3 and a molecular weight of 931.29 g/mol. Its IUPAC name is 1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine.

Molecular Properties

Compound Name1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine
PubChem CID10396053
Molecular FormulaC51H54N6O6Si3
Molecular Weight931.29 g/mol
Exact Mass930.34
IUPAC Name1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine
SMILESCO[Si](C)(C)c1ccc(/N=C/c2ccc(Oc3nc(Oc4ccc(/C=N/c5ccc([Si](C)(C)OC)cc5)cc4)nc(Oc4ccc(/C=N/c5ccc([Si](C)(C)OC)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C51H54N6O6Si3/c1-58-64(4,5)46-28-16-40(17-29-46)52-34-37-10-22-43(23-11-37)61-49-55-50(62-44-24-12-38(13-25-44)35-53-41-18-30-47(31-19-41)65(6,7)59-2)57-51(56-49)63-45-26-14-39(15-27-45)36-54-42-20-32-48(33-21-42)66(8,9)60-3/h10-36H,1-9H3/b52-34+,53-35+,54-36+
InChIKeyZFBNJFNOSDJXNP-AJEAHFMYSA-N
XLogP10.68
TPSA131.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500931.29
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine with MolForge

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Related Compounds

1-[4-[[4,6-bis[4-[(4-ethoxyphenyl)iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 146036776
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
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
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
CID 145351672
(NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine
CID 134612915
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine?
The IUPAC name of 1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine (CID 10396053) is 1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine.
What is the SMILES notation for 1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine?
The canonical SMILES for 1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine is CO[Si](C)(C)c1ccc(/N=C/c2ccc(Oc3nc(Oc4ccc(/C=N/c5ccc([Si](C)(C)OC)cc5)cc4)nc(Oc4ccc(/C=N/c5ccc([Si](C)(C)OC)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine?
The InChIKey is ZFBNJFNOSDJXNP-AJEAHFMYSA-N. The full InChI is InChI=1S/C51H54N6O6Si3/c1-58-64(4,5)46-28-16-40(17-29-46)52-34-37-10-22-43(23-11-37)61-49-55-50(62-44-24-12-38(13-25-44)35-53-41-18-30-47(31-19-41)65(6,7)59-2)57-51(56-49)63-45-26-14-39(15-27-45)36-54-42-20-32-48(33-21-42)66(8,9)60-3/h10-36H,1-9H3/b52-34+,53-35+,54-36+.
What are the key properties of 1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine?
1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine has a molecular weight of 931.29 g/mol, XLogP of 10.68, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4,6-bis[4-[[4-[methoxy(dimethyl)silyl]phenyl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-[4-[methoxy(dimethyl)silyl]phenyl]methanimine is sourced from PubChem (CID 10396053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).