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+))

C122H166Cl6N6O6P6Ti6 — CID 161496118

About 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+))

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+)) (PubChem CID 161496118) has the molecular formula C122H166Cl6N6O6P6Ti6 and a molecular weight of 2498.47 g/mol. Its IUPAC name is 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+)).

Molecular Properties

• Compound Name: 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+))
• PubChem CID: 161496118
• Molecular Formula: C122H166Cl6N6O6P6Ti6
• Molecular Weight: 2498.47 g/mol
• Exact Mass: 2494.63
• IUPAC Name: 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+))
• SMILES: Cc1cc(C(C)(C)C)cc(Pc2c(C)cccc2C[N-]C(C)(C)C)c1O.Cc1cc(C)c(O)c(Pc2c(C)cccc2C[N-]C(C)(C)C)c1.Cc1cc(Pc2c(C)cccc2C[N-]C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1ccc(O)c(Pc2c(C)cccc2C[N-]C(C)(C)C)c1.Cc1cccc(C[N-]C(C)(C)C)c1Pc1ccccc1O.Cc1cccc(Pc2c(C)cccc2C[N-]C(C)(C)C)c1O.Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+]
• InChI: InChI=1S/2C23H33NOP.C20H27NOP.2C19H25NOP.C18H23NOP.6ClH.6Ti/c1-15-12-18(22(3,4)5)20(25)19(13-15)26-21-16(2)10-9-11-17(21)14-24-23(6,7)8;1-15-10-9-11-17(14-24-23(6,7)8)21(15)26-19-13-18(22(3,4)5)12-16(2)20(19)25;1-13-10-15(3)18(22)17(11-13)23-19-14(2)8-7-9-16(19)12-21-20(4,5)6;1-13-8-7-11-16(17(13)21)22-18-14(2)9-6-10-15(18)12-20-19(3,4)5;1-13-9-10-16(21)17(11-13)22-18-14(2)7-6-8-15(18)12-20-19(3,4)5;1-13-8-7-9-14(12-19-18(2,3)4)17(13)21-16-11-6-5-10-15(16)20;;;;;;;;;;;;/h2*9-13,25-26H,14H2,1-8H3;7-11,22-23H,12H2,1-6H3;2*6-11,21-22H,12H2,1-5H3;5-11,20-21H,12H2,1-4H3;6*1H;;;;;;/q6*-1;;;;;;;6*+2/p-6
• InChIKey: LAWALAIVZHLWHD-UHFFFAOYSA-H
• XLogP: 32.58
• TPSA: 205.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 24
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2498.47
LogP ≤ 5	32.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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+))?

The IUPAC name of 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) is 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+)).

What is the SMILES notation for 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+))?

The canonical SMILES for 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+)) is Cc1cc(C(C)(C)C)cc(Pc2c(C)cccc2C[N-]C(C)(C)C)c1O.Cc1cc(C)c(O)c(Pc2c(C)cccc2C[N-]C(C)(C)C)c1.Cc1cc(Pc2c(C)cccc2C[N-]C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1ccc(O)c(Pc2c(C)cccc2C[N-]C(C)(C)C)c1.Cc1cccc(C[N-]C(C)(C)C)c1Pc1ccccc1O.Cc1cccc(Pc2c(C)cccc2C[N-]C(C)(C)C)c1O.Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].

What is the InChIKey of 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+))?

The InChIKey is LAWALAIVZHLWHD-UHFFFAOYSA-H. The full InChI is InChI=1S/2C23H33NOP.C20H27NOP.2C19H25NOP.C18H23NOP.6ClH.6Ti/c1-15-12-18(22(3,4)5)20(25)19(13-15)26-21-16(2)10-9-11-17(21)14-24-23(6,7)8;1-15-10-9-11-17(14-24-23(6,7)8)21(15)26-19-13-18(22(3,4)5)12-16(2)20(19)25;1-13-10-15(3)18(22)17(11-13)23-19-14(2)8-7-9-16(19)12-21-20(4,5)6;1-13-8-7-11-16(17(13)21)22-18-14(2)9-6-10-15(18)12-20-19(3,4)5;1-13-9-10-16(21)17(11-13)22-18-14(2)7-6-8-15(18)12-20-19(3,4)5;1-13-8-7-9-14(12-19-18(2,3)4)17(13)21-16-11-6-5-10-15(16)20;;;;;;;;;;;;/h2*9-13,25-26H,14H2,1-8H3;7-11,22-23H,12H2,1-6H3;2*6-11,21-22H,12H2,1-5H3;5-11,20-21H,12H2,1-4H3;6*1H;;;;;;/q6*-1;;;;;;;6*+2/p-6.

What are the key properties of 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+))?

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+)) has a molecular weight of 2498.47 g/mol, XLogP of 32.58, 24 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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+)) is sourced from PubChem (CID 161496118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).