2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium)

C149H157Cl12N5O10Si2Ti5 — CID 161079682

IUPAC2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium)
SMILESCCOc1ccccc1-c1ccccc1/N=C/c1cc(C)cc(C23CC4CC(CC(C4)C2)C3)c1O.COc1ccc(C)cc1-c1ccccc1/N=C/c1cccc(C(C)(C)C)c1O.COc1ccccc1-c1ccccc1/N=C/c1cc(C)cc([Si](C(C)C)(C(C)C)C(C)C)c1O.COc1ccccc1-c1ccccc1/N=C/c1cccc(-c2ccccc2)c1O.COc1ccccc1-c1ccccc1/N=C/c1cccc([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1O.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.[Ti]
InChIInChI=1S/C36H35NO2Si.C32H35NO2.C30H39NO2Si.C26H21NO2.C25H27NO2.12ClH.5Ti/c1-36(2,3)40(28-17-7-5-8-18-28,29-19-9-6-10-20-29)34-25-15-16-27(35(34)38)26-37-32-23-13-11-21-30(32)31-22-12-14-24-33(31)39-4;1-3-35-30-11-7-5-9-27(30)26-8-4-6-10-29(26)33-20-25-12-21(2)13-28(31(25)34)32-17-22-14-23(18-32)16-24(15-22)19-32;1-20(2)34(21(3)4,22(5)6)29-18-23(7)17-24(30(29)32)19-31-27-15-11-9-13-25(27)26-14-10-12-16-28(26)33-8;1-29-25-17-8-6-14-23(25)22-13-5-7-16-24(22)27-18-20-12-9-15-21(26(20)28)19-10-3-2-4-11-19;1-17-13-14-23(28-5)20(15-17)19-10-6-7-12-22(19)26-16-18-9-8-11-21(24(18)27)25(2,3)4;;;;;;;;;;;;;;;;;/h5-26,38H,1-4H3;4-13,20,22-24,34H,3,14-19H2,1-2H3;9-22,32H,1-8H3;2-18,28H,1H3;6-16,27H,1-5H3;12*1H;;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12/b37-26+;33-20+;31-19+;27-18+;26-16+;;;;;;;;;;;;;;;;;
InChIKeySPEMXKPZSPDWEC-KNTJRQPYSA-B
MW2898.86 g/mol
LogP44.26
Rot. Bonds30

About 2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium)

2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium) (PubChem CID 161079682) has the molecular formula C149H157Cl12N5O10Si2Ti5 and a molecular weight of 2898.86 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium).

Molecular Properties

Compound Name2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium)
PubChem CID161079682
Molecular FormulaC149H157Cl12N5O10Si2Ti5
Molecular Weight2898.86 g/mol
Exact Mass2891.51
IUPAC Name2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium)
SMILESCCOc1ccccc1-c1ccccc1/N=C/c1cc(C)cc(C23CC4CC(CC(C4)C2)C3)c1O.COc1ccc(C)cc1-c1ccccc1/N=C/c1cccc(C(C)(C)C)c1O.COc1ccccc1-c1ccccc1/N=C/c1cc(C)cc([Si](C(C)C)(C(C)C)C(C)C)c1O.COc1ccccc1-c1ccccc1/N=C/c1cccc(-c2ccccc2)c1O.COc1ccccc1-c1ccccc1/N=C/c1cccc([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1O.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.[Ti]
InChIInChI=1S/C36H35NO2Si.C32H35NO2.C30H39NO2Si.C26H21NO2.C25H27NO2.12ClH.5Ti/c1-36(2,3)40(28-17-7-5-8-18-28,29-19-9-6-10-20-29)34-25-15-16-27(35(34)38)26-37-32-23-13-11-21-30(32)31-22-12-14-24-33(31)39-4;1-3-35-30-11-7-5-9-27(30)26-8-4-6-10-29(26)33-20-25-12-21(2)13-28(31(25)34)32-17-22-14-23(18-32)16-24(15-22)19-32;1-20(2)34(21(3)4,22(5)6)29-18-23(7)17-24(30(29)32)19-31-27-15-11-9-13-25(27)26-14-10-12-16-28(26)33-8;1-29-25-17-8-6-14-23(25)22-13-5-7-16-24(22)27-18-20-12-9-15-21(26(20)28)19-10-3-2-4-11-19;1-17-13-14-23(28-5)20(15-17)19-10-6-7-12-22(19)26-16-18-9-8-11-21(24(18)27)25(2,3)4;;;;;;;;;;;;;;;;;/h5-26,38H,1-4H3;4-13,20,22-24,34H,3,14-19H2,1-2H3;9-22,32H,1-8H3;2-18,28H,1H3;6-16,27H,1-5H3;12*1H;;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12/b37-26+;33-20+;31-19+;27-18+;26-16+;;;;;;;;;;;;;;;;;
InChIKeySPEMXKPZSPDWEC-KNTJRQPYSA-B
XLogP44.26
TPSA209.10 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002898.86
LogP ≤ 544.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium) with MolForge

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Related Compounds

2-(1-adamantyl)-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methylphenol;trichlorotitanium
CID 139252637
2-(1-adamantyl)-4-tert-butyl-6-[[2-(2-ethoxyphenyl)-6-fluorophenyl]iminomethyl]phenol
CID 153236949
2-(1-adamantyl)-6-[[2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)phenyl]iminomethyl]-4-methylphenol
CID 157374442
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-propan-2-ylphenol
CID 136706319
2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-4-phenyl-6-[[2-[3-(2-phenylpropan-2-yl)phenyl]phenyl]iminomethyl]phenol
CID 144691029
2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 136676394
2-(1-adamantyl)-4-tert-butyl-6-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
CID 135466375
2-(1-adamantyl)-4-methyl-6-[(phenylhydrazinylidene)methyl]phenol
CID 169383181
2-[[2-[2-(dimethylamino)phenyl]phenyl]iminomethyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol;2-[[2-(2-methoxyethyl)phenyl]iminomethyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol;2-[2-(2-methoxyphenyl)ethyliminomethyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol;tris(trichlorotitanium)
CID 159446698
2-(1-adamantyliminomethyl)-6-tert-butylphenol
CID 136773230
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium)?
The IUPAC name of 2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium) (CID 161079682) is 2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium).
What is the SMILES notation for 2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium)?
The canonical SMILES for 2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium) is CCOc1ccccc1-c1ccccc1/N=C/c1cc(C)cc(C23CC4CC(CC(C4)C2)C3)c1O.COc1ccc(C)cc1-c1ccccc1/N=C/c1cccc(C(C)(C)C)c1O.COc1ccccc1-c1ccccc1/N=C/c1cc(C)cc([Si](C(C)C)(C(C)C)C(C)C)c1O.COc1ccccc1-c1ccccc1/N=C/c1cccc(-c2ccccc2)c1O.COc1ccccc1-c1ccccc1/N=C/c1cccc([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1O.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.[Ti].
What is the InChIKey of 2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium)?
The InChIKey is SPEMXKPZSPDWEC-KNTJRQPYSA-B. The full InChI is InChI=1S/C36H35NO2Si.C32H35NO2.C30H39NO2Si.C26H21NO2.C25H27NO2.12ClH.5Ti/c1-36(2,3)40(28-17-7-5-8-18-28,29-19-9-6-10-20-29)34-25-15-16-27(35(34)38)26-37-32-23-13-11-21-30(32)31-22-12-14-24-33(31)39-4;1-3-35-30-11-7-5-9-27(30)26-8-4-6-10-29(26)33-20-25-12-21(2)13-28(31(25)34)32-17-22-14-23(18-32)16-24(15-22)19-32;1-20(2)34(21(3)4,22(5)6)29-18-23(7)17-24(30(29)32)19-31-27-15-11-9-13-25(27)26-14-10-12-16-28(26)33-8;1-29-25-17-8-6-14-23(25)22-13-5-7-16-24(22)27-18-20-12-9-15-21(26(20)28)19-10-3-2-4-11-19;1-17-13-14-23(28-5)20(15-17)19-10-6-7-12-22(19)26-16-18-9-8-11-21(24(18)27)25(2,3)4;;;;;;;;;;;;;;;;;/h5-26,38H,1-4H3;4-13,20,22-24,34H,3,14-19H2,1-2H3;9-22,32H,1-8H3;2-18,28H,1H3;6-16,27H,1-5H3;12*1H;;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12/b37-26+;33-20+;31-19+;27-18+;26-16+;;;;;;;;;;;;;;;;;.
What are the key properties of 2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium)?
2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium) has a molecular weight of 2898.86 g/mol, XLogP of 44.26, 30 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-[[2-(2-ethoxyphenyl)phenyl]iminomethyl]-4-methylphenol;2-[tert-butyl(diphenyl)silyl]-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[2-(2-methoxy-5-methylphenyl)phenyl]iminomethyl]phenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methyl-6-tri(propan-2-yl)silylphenol;2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-phenylphenol;titanium;tetrakis(trichlorotitanium) is sourced from PubChem (CID 161079682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).