2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol

C76H59Cl8F7N6O4Ti4 — CID 157387790

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol
SMILESCc1cc(C)cc(/N=C/c2cccc(-c3ccccc3)c2O)c1.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Oc1c(/C=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1-c1ccccc1.Oc1c(C=Nn2cccc2)cc(F)cc1-c1ccccc1.Oc1c(C=Nn2cccc2)cccc1-c1ccccc1
InChIInChI=1S/C21H13F6NO.C21H19NO.C17H13FN2O.C17H14N2O.8ClH.4Ti/c22-20(23,24)15-9-16(21(25,26)27)11-17(10-15)28-12-14-7-4-8-18(19(14)29)13-5-2-1-3-6-13;1-15-11-16(2)13-19(12-15)22-14-18-9-6-10-20(21(18)23)17-7-4-3-5-8-17;18-15-10-14(12-19-20-8-4-5-9-20)17(21)16(11-15)13-6-2-1-3-7-13;20-17-15(13-18-19-11-4-5-12-19)9-6-10-16(17)14-7-2-1-3-8-14;;;;;;;;;;;;/h1-12,29H;3-14,23H,1-2H3;1-12,21H;1-13,20H;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/b28-12+;22-14+;;;;;;;;;;;;;;
InChIKeyZUPLGWNMRVWWFP-OPQCMTKJSA-F
MW1728.42 g/mol
LogP25.40
Rot. Bonds12

About 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol

2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol (PubChem CID 157387790) has the molecular formula C76H59Cl8F7N6O4Ti4 and a molecular weight of 1728.42 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol
PubChem CID157387790
Molecular FormulaC76H59Cl8F7N6O4Ti4
Molecular Weight1728.42 g/mol
Exact Mass1723.99
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol
SMILESCc1cc(C)cc(/N=C/c2cccc(-c3ccccc3)c2O)c1.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Oc1c(/C=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1-c1ccccc1.Oc1c(C=Nn2cccc2)cc(F)cc1-c1ccccc1.Oc1c(C=Nn2cccc2)cccc1-c1ccccc1
InChIInChI=1S/C21H13F6NO.C21H19NO.C17H13FN2O.C17H14N2O.8ClH.4Ti/c22-20(23,24)15-9-16(21(25,26)27)11-17(10-15)28-12-14-7-4-8-18(19(14)29)13-5-2-1-3-6-13;1-15-11-16(2)13-19(12-15)22-14-18-9-6-10-20(21(18)23)17-7-4-3-5-8-17;18-15-10-14(12-19-20-8-4-5-9-20)17(21)16(11-15)13-6-2-1-3-7-13;20-17-15(13-18-19-11-4-5-12-19)9-6-10-16(17)14-7-2-1-3-8-14;;;;;;;;;;;;/h1-12,29H;3-14,23H,1-2H3;1-12,21H;1-13,20H;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/b28-12+;22-14+;;;;;;;;;;;;;;
InChIKeyZUPLGWNMRVWWFP-OPQCMTKJSA-F
XLogP25.40
TPSA140.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001728.42
LogP ≤ 525.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;pyrrol-1-ide;pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 157515611
Bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;pentakis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 157800104
(2,6-Dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;pyrrol-1-ide;tris(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 158799679
(2,6-Dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
CID 159253708
Bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);pyrrol-1-ide;tris(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 160303005
Bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 162193446
dichlorotitanium;2-(3,5-difluorophenyl)-6-[(E)-pyrrol-1-yliminomethyl]phenol
CID 136170565
Dichlorotitanium;2-(3,5-difluorophenyl)-6-(pyrrol-1-yliminomethyl)phenol
CID 137145948
2-Cyclohexyl-6-(pyrrol-1-yliminomethyl)phenol;pentakis(dichlorotitanium);2-(3,5-difluorophenyl)-6-(pyrrol-1-yliminomethyl)phenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-propan-2-yl-6-(pyrrol-1-yliminomethyl)phenol
CID 158317464
2-tert-butyl-6-[[4-[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]iminomethyl]phenol;1-(1H-pyrrol-2-yl)-N-[4-[[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methyl]phenyl]methanimine
CID 159937315
2-Cyclohexyl-6-(pyrrol-1-yliminomethyl)phenol;tris(dichlorotitanium);2-(3,5-difluorophenyl)-6-(pyrrol-1-yliminomethyl)phenol;2-propan-2-yl-6-(pyrrol-1-yliminomethyl)phenol
CID 159952006
Bis(2-tert-butyl-6-(methyliminomethyl)phenol);bis(dichlorotitanium);propane;propan-2-yl-[(1-propan-2-ylpyrrol-2-yl)methylidene]-[4-[[4-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methyl]phenyl]azanium
CID 160501264

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol (CID 157387790) is 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol is Cc1cc(C)cc(/N=C/c2cccc(-c3ccccc3)c2O)c1.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Oc1c(/C=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1-c1ccccc1.Oc1c(C=Nn2cccc2)cc(F)cc1-c1ccccc1.Oc1c(C=Nn2cccc2)cccc1-c1ccccc1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol?
The InChIKey is ZUPLGWNMRVWWFP-OPQCMTKJSA-F. The full InChI is InChI=1S/C21H13F6NO.C21H19NO.C17H13FN2O.C17H14N2O.8ClH.4Ti/c22-20(23,24)15-9-16(21(25,26)27)11-17(10-15)28-12-14-7-4-8-18(19(14)29)13-5-2-1-3-6-13;1-15-11-16(2)13-19(12-15)22-14-18-9-6-10-20(21(18)23)17-7-4-3-5-8-17;18-15-10-14(12-19-20-8-4-5-9-20)17(21)16(11-15)13-6-2-1-3-7-13;20-17-15(13-18-19-11-4-5-12-19)9-6-10-16(17)14-7-2-1-3-8-14;;;;;;;;;;;;/h1-12,29H;3-14,23H,1-2H3;1-12,21H;1-13,20H;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/b28-12+;22-14+;;;;;;;;;;;;;;.
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol?
2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol has a molecular weight of 1728.42 g/mol, XLogP of 25.40, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-6-phenylphenol;tetrakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol is sourced from PubChem (CID 157387790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).