2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol

C104H116Cl10F3N5O5Ti5 — CID 158343570

IUPAC2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol
SMILESCc1cc(/C=N/c2ccccc2C)c(O)c(-c2ccccc2)c1.Cc1cc(/C=N/c2ccccc2C)c(O)c(C2CCCCCCC2)c1.Cc1cc(C)c(O)c(/C=N/c2ccccc2C)c1.Cc1cc(C)cc(/N=C/c2cc(C)cc(C3CCCCCCC3)c2O)c1.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Oc1c(/C=N/c2ccccc2C(F)(F)F)cccc1C1CCCCC1
InChIInChI=1S/C24H31NO.C23H29NO.C21H19NO.C20H20F3NO.C16H17NO.10ClH.5Ti/c1-17-11-18(2)14-22(13-17)25-16-21-12-19(3)15-23(24(21)26)20-9-7-5-4-6-8-10-20;1-17-14-20(16-24-22-13-9-8-10-18(22)2)23(25)21(15-17)19-11-6-4-3-5-7-12-19;1-15-12-18(14-22-20-11-7-6-8-16(20)2)21(23)19(13-15)17-9-4-3-5-10-17;21-20(22,23)17-11-4-5-12-18(17)24-13-15-9-6-10-16(19(15)25)14-7-2-1-3-8-14;1-11-8-13(3)16(18)14(9-11)10-17-15-7-5-4-6-12(15)2;;;;;;;;;;;;;;;/h11-16,20,26H,4-10H2,1-3H3;8-10,13-16,19,25H,3-7,11-12H2,1-2H3;3-14,23H,1-2H3;4-6,9-14,25H,1-3,7-8H2;4-10,18H,1-3H3;10*1H;;;;;/q;;;;;;;;;;;;;;;5*+2/p-10/b25-16+;24-16+;22-14+;24-13+;17-10+;;;;;;;;;;;;;;;
InChIKeyBLMOPUOJFVVZRG-JFGKFFQTSA-D
MW2166.96 g/mol
LogP36.07
Rot. Bonds14

About 2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol

2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol (PubChem CID 158343570) has the molecular formula C104H116Cl10F3N5O5Ti5 and a molecular weight of 2166.96 g/mol. Its IUPAC name is 2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol.

Molecular Properties

Compound Name2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol
PubChem CID158343570
Molecular FormulaC104H116Cl10F3N5O5Ti5
Molecular Weight2166.96 g/mol
Exact Mass2161.32
IUPAC Name2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol
SMILESCc1cc(/C=N/c2ccccc2C)c(O)c(-c2ccccc2)c1.Cc1cc(/C=N/c2ccccc2C)c(O)c(C2CCCCCCC2)c1.Cc1cc(C)c(O)c(/C=N/c2ccccc2C)c1.Cc1cc(C)cc(/N=C/c2cc(C)cc(C3CCCCCCC3)c2O)c1.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Oc1c(/C=N/c2ccccc2C(F)(F)F)cccc1C1CCCCC1
InChIInChI=1S/C24H31NO.C23H29NO.C21H19NO.C20H20F3NO.C16H17NO.10ClH.5Ti/c1-17-11-18(2)14-22(13-17)25-16-21-12-19(3)15-23(24(21)26)20-9-7-5-4-6-8-10-20;1-17-14-20(16-24-22-13-9-8-10-18(22)2)23(25)21(15-17)19-11-6-4-3-5-7-12-19;1-15-12-18(14-22-20-11-7-6-8-16(20)2)21(23)19(13-15)17-9-4-3-5-10-17;21-20(22,23)17-11-4-5-12-18(17)24-13-15-9-6-10-16(19(15)25)14-7-2-1-3-8-14;1-11-8-13(3)16(18)14(9-11)10-17-15-7-5-4-6-12(15)2;;;;;;;;;;;;;;;/h11-16,20,26H,4-10H2,1-3H3;8-10,13-16,19,25H,3-7,11-12H2,1-2H3;3-14,23H,1-2H3;4-6,9-14,25H,1-3,7-8H2;4-10,18H,1-3H3;10*1H;;;;;/q;;;;;;;;;;;;;;;5*+2/p-10/b25-16+;24-16+;22-14+;24-13+;17-10+;;;;;;;;;;;;;;;
InChIKeyBLMOPUOJFVVZRG-JFGKFFQTSA-D
XLogP36.07
TPSA162.95 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002166.96
LogP ≤ 536.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol with MolForge

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Related Compounds

2-cyclohexyl-6-[(3,5-dimethylphenyl)iminomethyl]phenol;2-cyclohexyl-6-[(2-methylphenyl)iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]phenol;2-cyclooctyl-6-[(2-methylphenyl)iminomethyl]phenol;octakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-methylphenol;2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol;2-[(2-methylphenyl)iminomethyl]-6-phenylphenol
CID 160989421
1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
CID 71137448
dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
CID 135967283
2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol
CID 136968910
2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium)
CID 160872445
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
bis(dichlorotitanium);2-[(4-methoxyphenyl)iminomethyl]-6-phenylphenol;2-phenyl-6-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 158695131
2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
CID 137225880
2-[(2-cyclopentyl-4,6-dimethylphenyl)iminomethyl]-6-(2-phenylpropan-2-yl)-4-tritylphenol
CID 137234465
2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol
CID 137225849
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
CID 137032211
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol?
The IUPAC name of 2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol (CID 158343570) is 2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol.
What is the SMILES notation for 2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol?
The canonical SMILES for 2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol is Cc1cc(/C=N/c2ccccc2C)c(O)c(-c2ccccc2)c1.Cc1cc(/C=N/c2ccccc2C)c(O)c(C2CCCCCCC2)c1.Cc1cc(C)c(O)c(/C=N/c2ccccc2C)c1.Cc1cc(C)cc(/N=C/c2cc(C)cc(C3CCCCCCC3)c2O)c1.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Oc1c(/C=N/c2ccccc2C(F)(F)F)cccc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol?
The InChIKey is BLMOPUOJFVVZRG-JFGKFFQTSA-D. The full InChI is InChI=1S/C24H31NO.C23H29NO.C21H19NO.C20H20F3NO.C16H17NO.10ClH.5Ti/c1-17-11-18(2)14-22(13-17)25-16-21-12-19(3)15-23(24(21)26)20-9-7-5-4-6-8-10-20;1-17-14-20(16-24-22-13-9-8-10-18(22)2)23(25)21(15-17)19-11-6-4-3-5-7-12-19;1-15-12-18(14-22-20-11-7-6-8-16(20)2)21(23)19(13-15)17-9-4-3-5-10-17;21-20(22,23)17-11-4-5-12-18(17)24-13-15-9-6-10-16(19(15)25)14-7-2-1-3-8-14;1-11-8-13(3)16(18)14(9-11)10-17-15-7-5-4-6-12(15)2;;;;;;;;;;;;;;;/h11-16,20,26H,4-10H2,1-3H3;8-10,13-16,19,25H,3-7,11-12H2,1-2H3;3-14,23H,1-2H3;4-6,9-14,25H,1-3,7-8H2;4-10,18H,1-3H3;10*1H;;;;;/q;;;;;;;;;;;;;;;5*+2/p-10/b25-16+;24-16+;22-14+;24-13+;17-10+;;;;;;;;;;;;;;;.
What are the key properties of 2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol?
2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol has a molecular weight of 2166.96 g/mol, XLogP of 36.07, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol is sourced from PubChem (CID 158343570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).