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)

C83H90Cl9N4O5Ti3 — CID 159446698

IUPAC2-[[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)
SMILESCOCCc1ccccc1/N=C/c1cc(C)cc(C(C)(C)c2ccccc2)c1O.COc1ccccc1CC/N=C/c1cc(C)cc(C(C)(C)c2ccccc2)c1O.Cc1cc(/C=N/c2ccccc2-c2ccccc2N(C)C)c(O)c(C(C)(C)c2ccccc2)c1.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl
InChIInChI=1S/C31H32N2O.2C26H29NO2.9ClH.3Ti/c1-22-19-23(30(34)27(20-22)31(2,3)24-13-7-6-8-14-24)21-32-28-17-11-9-15-25(28)26-16-10-12-18-29(26)33(4)5;1-19-16-21(18-27-24-13-9-8-10-20(24)14-15-29-4)25(28)23(17-19)26(2,3)22-11-6-5-7-12-22;1-19-16-21(18-27-15-14-20-10-8-9-13-24(20)29-4)25(28)23(17-19)26(2,3)22-11-6-5-7-12-22;;;;;;;;;;;;/h6-21,34H,1-5H3;2*5-13,16-18,28H,14-15H2,1-4H3;9*1H;;;/q;;;;;;;;;;;;3*+3/p-9/b32-21+;2*27-18+;;;;;;;;;;;;
InChIKeyWUSOQBLPGIDXRM-UTZRZZPZSA-E
MW1686.33 g/mol
LogP25.37
Rot. Bonds20

About 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)

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) (PubChem CID 159446698) has the molecular formula C83H90Cl9N4O5Ti3 and a molecular weight of 1686.33 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-[[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)
PubChem CID159446698
Molecular FormulaC83H90Cl9N4O5Ti3
Molecular Weight1686.33 g/mol
Exact Mass1681.25
IUPAC Name2-[[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)
SMILESCOCCc1ccccc1/N=C/c1cc(C)cc(C(C)(C)c2ccccc2)c1O.COc1ccccc1CC/N=C/c1cc(C)cc(C(C)(C)c2ccccc2)c1O.Cc1cc(/C=N/c2ccccc2-c2ccccc2N(C)C)c(O)c(C(C)(C)c2ccccc2)c1.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl
InChIInChI=1S/C31H32N2O.2C26H29NO2.9ClH.3Ti/c1-22-19-23(30(34)27(20-22)31(2,3)24-13-7-6-8-14-24)21-32-28-17-11-9-15-25(28)26-16-10-12-18-29(26)33(4)5;1-19-16-21(18-27-24-13-9-8-10-20(24)14-15-29-4)25(28)23(17-19)26(2,3)22-11-6-5-7-12-22;1-19-16-21(18-27-15-14-20-10-8-9-13-24(20)29-4)25(28)23(17-19)26(2,3)22-11-6-5-7-12-22;;;;;;;;;;;;/h6-21,34H,1-5H3;2*5-13,16-18,28H,14-15H2,1-4H3;9*1H;;;/q;;;;;;;;;;;;3*+3/p-9/b32-21+;2*27-18+;;;;;;;;;;;;
InChIKeyWUSOQBLPGIDXRM-UTZRZZPZSA-E
XLogP25.37
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001686.33
LogP ≤ 525.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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Related Compounds

2-(1-adamantyl)-6-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-4-methylphenol;trichlorotitanium
CID 139252637
2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol
CID 173494309
2-[[1,1-bis(5-tert-butyl-2-methoxyphenyl)-1-hydroxy-4-(2-methoxyphenyl)butan-2-yl]iminomethyl]-6-tert-butyl-4-methylphenol
CID 139698056
2-[[[8-(2-methoxyphenyl)naphthalen-1-yl]amino]methyl]-4-methyl-6-(2-phenylpropan-2-yl)phenol
CID 162285604
2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol
CID 171500786
2-methoxy-6-[2-(2-methoxy-5-methylphenyl)ethyliminomethyl]phenol
CID 135829051
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2,4-bis(2-phenylpropan-2-yl)-6-[(2-propan-2-ylphenyl)iminomethyl]phenol
CID 136694058
2-[2-[[2-hydroxy-3-methoxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]methylideneamino]ethyliminomethyl]-6-methoxy-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenol;manganese(2+);chloride
CID 135889343
bis(2-[(2-but-3-enoxyphenyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol);dichlorotitanium
CID 137176075
2-[(2-cyclopentyl-4,6-dimethylphenyl)iminomethyl]-6-(2-phenylpropan-2-yl)-4-tritylphenol
CID 137234465
4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 3095687

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is COCCc1ccccc1/N=C/c1cc(C)cc(C(C)(C)c2ccccc2)c1O.COc1ccccc1CC/N=C/c1cc(C)cc(C(C)(C)c2ccccc2)c1O.Cc1cc(/C=N/c2ccccc2-c2ccccc2N(C)C)c(O)c(C(C)(C)c2ccccc2)c1.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.
What is the InChIKey of 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)?
The InChIKey is WUSOQBLPGIDXRM-UTZRZZPZSA-E. The full InChI is InChI=1S/C31H32N2O.2C26H29NO2.9ClH.3Ti/c1-22-19-23(30(34)27(20-22)31(2,3)24-13-7-6-8-14-24)21-32-28-17-11-9-15-25(28)26-16-10-12-18-29(26)33(4)5;1-19-16-21(18-27-24-13-9-8-10-20(24)14-15-29-4)25(28)23(17-19)26(2,3)22-11-6-5-7-12-22;1-19-16-21(18-27-15-14-20-10-8-9-13-24(20)29-4)25(28)23(17-19)26(2,3)22-11-6-5-7-12-22;;;;;;;;;;;;/h6-21,34H,1-5H3;2*5-13,16-18,28H,14-15H2,1-4H3;9*1H;;;/q;;;;;;;;;;;;3*+3/p-9/b32-21+;2*27-18+;;;;;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 1686.33 g/mol, XLogP of 25.37, 20 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 159446698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).