tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide

C115H135Cl6FN6O12P6Ti6 — CID 160706779

IUPACtert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide
SMILESCOc1cc(OC)c(O)c(Pc2ccc(F)cc2C[N-]C(C)(C)C)c1.COc1cc(OC)c(O)c(Pc2ccccc2C[N-]C(C)(C)C)c1.COc1ccc(O)c(Pc2ccc(C)cc2C[N-]C(C)(C)C)c1.COc1cccc(Pc2c(C)cccc2C[N-]C(C)(C)C)c1O.Cc1cccc(Pc2ccccc2C[N-]c2ccccc2)c1O.Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Oc1ccccc1Pc1ccccc1C[N-]c1ccccc1
InChIInChI=1S/C20H19NOP.C19H24FNO3P.C19H25NO3P.2C19H25NO2P.C19H17NOP.6ClH.6Ti/c1-15-8-7-13-19(20(15)22)23-18-12-6-5-9-16(18)14-21-17-10-3-2-4-11-17;1-19(2,3)21-11-12-8-13(20)6-7-16(12)25-17-10-14(23-4)9-15(24-5)18(17)22;1-19(2,3)20-12-13-8-6-7-9-16(13)24-17-11-14(22-4)10-15(23-5)18(17)21;1-13-6-9-17(14(10-13)12-20-19(2,3)4)23-18-11-15(22-5)7-8-16(18)21;1-13-8-6-9-14(12-20-19(2,3)4)18(13)23-16-11-7-10-15(22-5)17(16)21;21-17-11-5-7-13-19(17)22-18-12-6-4-8-15(18)14-20-16-9-2-1-3-10-16;;;;;;;;;;;;/h2-13,22-23H,14H2,1H3;6-10,22,25H,11H2,1-5H3;6-11,21,24H,12H2,1-5H3;2*6-11,21,23H,12H2,1-5H3;1-13,21-22H,14H2;6*1H;;;;;;/q6*-1;;;;;;;6*+2/p-6
InChIKeyPJOGNPLJICIRMJ-UHFFFAOYSA-H
MW2498.14 g/mol
LogP28.47
Rot. Bonds32

About tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide

tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide (PubChem CID 160706779) has the molecular formula C115H135Cl6FN6O12P6Ti6 and a molecular weight of 2498.14 g/mol. Its IUPAC name is tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide.

Molecular Properties

Compound Nametert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide
PubChem CID160706779
Molecular FormulaC115H135Cl6FN6O12P6Ti6
Molecular Weight2498.14 g/mol
Exact Mass2494.36
IUPAC Nametert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide
SMILESCOc1cc(OC)c(O)c(Pc2ccc(F)cc2C[N-]C(C)(C)C)c1.COc1cc(OC)c(O)c(Pc2ccccc2C[N-]C(C)(C)C)c1.COc1ccc(O)c(Pc2ccc(C)cc2C[N-]C(C)(C)C)c1.COc1cccc(Pc2c(C)cccc2C[N-]C(C)(C)C)c1O.Cc1cccc(Pc2ccccc2C[N-]c2ccccc2)c1O.Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Oc1ccccc1Pc1ccccc1C[N-]c1ccccc1
InChIInChI=1S/C20H19NOP.C19H24FNO3P.C19H25NO3P.2C19H25NO2P.C19H17NOP.6ClH.6Ti/c1-15-8-7-13-19(20(15)22)23-18-12-6-5-9-16(18)14-21-17-10-3-2-4-11-17;1-19(2,3)21-11-12-8-13(20)6-7-16(12)25-17-10-14(23-4)9-15(24-5)18(17)22;1-19(2,3)20-12-13-8-6-7-9-16(13)24-17-11-14(22-4)10-15(23-5)18(17)21;1-13-6-9-17(14(10-13)12-20-19(2,3)4)23-18-11-15(22-5)7-8-16(18)21;1-13-8-6-9-14(12-20-19(2,3)4)18(13)23-16-11-7-10-15(22-5)17(16)21;21-17-11-5-7-13-19(17)22-18-12-6-4-8-15(18)14-20-16-9-2-1-3-10-16;;;;;;;;;;;;/h2-13,22-23H,14H2,1H3;6-10,22,25H,11H2,1-5H3;6-11,21,24H,12H2,1-5H3;2*6-11,21,23H,12H2,1-5H3;1-13,21-22H,14H2;6*1H;;;;;;/q6*-1;;;;;;;6*+2/p-6
InChIKeyPJOGNPLJICIRMJ-UHFFFAOYSA-H
XLogP28.47
TPSA261.36 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms152
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002498.14
LogP ≤ 528.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide?
The IUPAC name of tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide (CID 160706779) is tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide.
What is the SMILES notation for tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide?
The canonical SMILES for tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide is COc1cc(OC)c(O)c(Pc2ccc(F)cc2C[N-]C(C)(C)C)c1.COc1cc(OC)c(O)c(Pc2ccccc2C[N-]C(C)(C)C)c1.COc1ccc(O)c(Pc2ccc(C)cc2C[N-]C(C)(C)C)c1.COc1cccc(Pc2c(C)cccc2C[N-]C(C)(C)C)c1O.Cc1cccc(Pc2ccccc2C[N-]c2ccccc2)c1O.Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Cl[Ti+].Oc1ccccc1Pc1ccccc1C[N-]c1ccccc1.
What is the InChIKey of tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide?
The InChIKey is PJOGNPLJICIRMJ-UHFFFAOYSA-H. The full InChI is InChI=1S/C20H19NOP.C19H24FNO3P.C19H25NO3P.2C19H25NO2P.C19H17NOP.6ClH.6Ti/c1-15-8-7-13-19(20(15)22)23-18-12-6-5-9-16(18)14-21-17-10-3-2-4-11-17;1-19(2,3)21-11-12-8-13(20)6-7-16(12)25-17-10-14(23-4)9-15(24-5)18(17)22;1-19(2,3)20-12-13-8-6-7-9-16(13)24-17-11-14(22-4)10-15(23-5)18(17)21;1-13-6-9-17(14(10-13)12-20-19(2,3)4)23-18-11-15(22-5)7-8-16(18)21;1-13-8-6-9-14(12-20-19(2,3)4)18(13)23-16-11-7-10-15(22-5)17(16)21;21-17-11-5-7-13-19(17)22-18-12-6-4-8-15(18)14-20-16-9-2-1-3-10-16;;;;;;;;;;;;/h2-13,22-23H,14H2,1H3;6-10,22,25H,11H2,1-5H3;6-11,21,24H,12H2,1-5H3;2*6-11,21,23H,12H2,1-5H3;1-13,21-22H,14H2;6*1H;;;;;;/q6*-1;;;;;;;6*+2/p-6.
What are the key properties of tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide?
tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide has a molecular weight of 2498.14 g/mol, XLogP of 28.47, 32 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[5-fluoro-2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3,5-dimethoxyphenyl)phosphanylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-3-methoxyphenyl)phosphanyl-3-methylphenyl]methyl]azanide;tert-butyl-[[2-(2-hydroxy-5-methoxyphenyl)phosphanyl-5-methylphenyl]methyl]azanide;hexakis(chlorotitanium(1+));[2-(2-hydroxy-3-methylphenyl)phosphanylphenyl]methyl-phenylazanide;[2-(2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide is sourced from PubChem (CID 160706779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).