2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium)

C72H88Cl8N4O4P4Ti4 — CID 160869020

IUPAC2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium)
SMILESCC(C)(C)/N=C/c1ccccc1Pc1ccccc1O.Cc1cc(C)c(O)c(Pc2ccccc2/C=N/C(C)(C)C)c1.Cc1ccc(O)c(Pc2ccccc2/C=N/C(C)(C)C)c1.Cc1cccc(Pc2ccccc2/C=N/C(C)(C)C)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl
InChIInChI=1S/C19H24NOP.2C18H22NOP.C17H20NOP.8ClH.4Ti/c1-13-10-14(2)18(21)17(11-13)22-16-9-7-6-8-15(16)12-20-19(3,4)5;1-13-8-7-11-16(17(13)20)21-15-10-6-5-9-14(15)12-19-18(2,3)4;1-13-9-10-15(20)17(11-13)21-16-8-6-5-7-14(16)12-19-18(2,3)4;1-17(2,3)18-12-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)19;;;;;;;;;;;;/h6-12,21-22H,1-5H3;2*5-12,20-21H,1-4H3;4-12,19-20H,1-3H3;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/b20-12+;2*19-12+;18-12+;;;;;;;;;;;;
InChIKeyNBHXNEWSPAOIDI-VHOMZXHGSA-F
MW1672.51 g/mol
LogP19.70
Rot. Bonds12

About 2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium)

2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium) (PubChem CID 160869020) has the molecular formula C72H88Cl8N4O4P4Ti4 and a molecular weight of 1672.51 g/mol. Its IUPAC name is 2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium).

Molecular Properties

Compound Name2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium)
PubChem CID160869020
Molecular FormulaC72H88Cl8N4O4P4Ti4
Molecular Weight1672.51 g/mol
Exact Mass1668.12
IUPAC Name2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium)
SMILESCC(C)(C)/N=C/c1ccccc1Pc1ccccc1O.Cc1cc(C)c(O)c(Pc2ccccc2/C=N/C(C)(C)C)c1.Cc1ccc(O)c(Pc2ccccc2/C=N/C(C)(C)C)c1.Cc1cccc(Pc2ccccc2/C=N/C(C)(C)C)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl
InChIInChI=1S/C19H24NOP.2C18H22NOP.C17H20NOP.8ClH.4Ti/c1-13-10-14(2)18(21)17(11-13)22-16-9-7-6-8-15(16)12-20-19(3,4)5;1-13-8-7-11-16(17(13)20)21-15-10-6-5-9-14(15)12-19-18(2,3)4;1-13-9-10-15(20)17(11-13)21-16-8-6-5-7-14(16)12-19-18(2,3)4;1-17(2,3)18-12-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)19;;;;;;;;;;;;/h6-12,21-22H,1-5H3;2*5-12,20-21H,1-4H3;4-12,19-20H,1-3H3;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/b20-12+;2*19-12+;18-12+;;;;;;;;;;;;
InChIKeyNBHXNEWSPAOIDI-VHOMZXHGSA-F
XLogP19.70
TPSA130.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001672.51
LogP ≤ 519.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium) 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

2-tert-butyl-4-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2,4-ditert-butyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2,4-dimethyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol
CID 160963521
4-tert-butyl-2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-tert-butyl-4-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2,4-ditert-butyl-6-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanylphenol;2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-6-methylphenol
CID 160780100
2-tert-butyl-4-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;hexakis(dichlorozirconium);2,4-dimethyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(trifluoromethyl)phenyl]phosphanylphenol
CID 159462518
2-tert-butyl-6-[2-(1-hydroxyethyl)phenyl]phosphanyl-4-methylphenol;4-tert-butyl-2-[2-(1-hydroxyethyl)phenyl]phosphanyl-6-methylphenol;2,4-ditert-butyl-6-[2-(1-hydroxyethyl)phenyl]phosphanylphenol;2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanyl-4,6-dimethylphenol;2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanyl-4-methylphenol;2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanyl-6-methylphenol;2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylphenol
CID 159945475
2-tert-butyl-4-methyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol
CID 172960859
tert-butyl-[[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(5-tert-butyl-2-hydroxy-3-methylphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethylphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methylphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methylphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+))
CID 161496118
2-tert-butyl-4-methyl-6-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol;2,4-dimethyl-6-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol;2-methyl-6-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol;4-methyl-2-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol
CID 162035328
2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol
CID 76558159
2-tert-butyl-4-methyl-6-[2-methyl-6-(piperidin-1-ylmethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-methyl-6-(piperidin-1-ylmethyl)phenyl]phosphanylphenol;2,4-dimethyl-6-[2-methyl-6-(piperidin-1-ylmethyl)phenyl]phosphanylphenol;2-methyl-6-[2-methyl-6-(piperidin-1-ylmethyl)phenyl]phosphanylphenol;4-methyl-2-[2-methyl-6-(piperidin-1-ylmethyl)phenyl]phosphanylphenol
CID 158411374
2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol
CID 149182518
2-tert-butyl-6-[2-(diethylamino)-6-methylphenyl]phosphanyl-4-methylphenol;4-tert-butyl-2-[2-(diethylamino)-6-methylphenyl]phosphanyl-6-methylphenol;2-[2-(dibenzylamino)-6-methylphenyl]phosphanyl-6-methylphenol;2-[2-(dibenzylamino)-6-methylphenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-(diethylamino)-6-methylphenyl]phosphanylphenol
CID 158980391
2,4-dimethylphenol;2,6-dimethylphenol;methane
CID 162172477

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium)?
The IUPAC name of 2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium) (CID 160869020) is 2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium).
What is the SMILES notation for 2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium)?
The canonical SMILES for 2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium) is CC(C)(C)/N=C/c1ccccc1Pc1ccccc1O.Cc1cc(C)c(O)c(Pc2ccccc2/C=N/C(C)(C)C)c1.Cc1ccc(O)c(Pc2ccccc2/C=N/C(C)(C)C)c1.Cc1cccc(Pc2ccccc2/C=N/C(C)(C)C)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.
What is the InChIKey of 2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium)?
The InChIKey is NBHXNEWSPAOIDI-VHOMZXHGSA-F. The full InChI is InChI=1S/C19H24NOP.2C18H22NOP.C17H20NOP.8ClH.4Ti/c1-13-10-14(2)18(21)17(11-13)22-16-9-7-6-8-15(16)12-20-19(3,4)5;1-13-8-7-11-16(17(13)20)21-15-10-6-5-9-14(15)12-19-18(2,3)4;1-13-9-10-15(20)17(11-13)21-16-8-6-5-7-14(16)12-19-18(2,3)4;1-17(2,3)18-12-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)19;;;;;;;;;;;;/h6-12,21-22H,1-5H3;2*5-12,20-21H,1-4H3;4-12,19-20H,1-3H3;8*1H;;;;/q;;;;;;;;;;;;4*+2/p-8/b20-12+;2*19-12+;18-12+;;;;;;;;;;;;.
What are the key properties of 2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium)?
2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium) has a molecular weight of 1672.51 g/mol, XLogP of 19.70, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium) is sourced from PubChem (CID 160869020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).