4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride

C131H150Cl5FN5O5P5 — CID 159854033

IUPAC4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride
SMILESCC(C)(C)NCc1cc(F)ccc1Pc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O.CC(C)(C)NCc1ccccc1Pc1cc(-c2ccccc2)cc(-c2ccccc2)c1O.CC(C)(C)NCc1ccccc1Pc1cc(-c2ccccc2)ccc1O.CC(C)(C)NCc1ccccc1Pc1cccc(-c2ccccc2)c1O.Cc1ccc(Pc2cc(Cc3ccccc3)ccc2O)c(CNC(C)(C)C)c1.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C31H33FNOP.C29H30NOP.C25H30NOP.2C23H26NOP.5ClH/c1-31(2,3)33-21-26-20-27(32)14-15-28(26)35-29-19-24(16-22-10-6-4-7-11-22)18-25(30(29)34)17-23-12-8-5-9-13-23;1-29(2,3)30-20-23-16-10-11-17-26(23)32-27-19-24(21-12-6-4-7-13-21)18-25(28(27)31)22-14-8-5-9-15-22;1-18-10-13-23(21(14-18)17-26-25(2,3)4)28-24-16-20(11-12-22(24)27)15-19-8-6-5-7-9-19;1-23(2,3)24-16-18-12-7-8-14-20(18)26-21-15-9-13-19(22(21)25)17-10-5-4-6-11-17;1-23(2,3)24-16-19-11-7-8-12-21(19)26-22-15-18(13-14-20(22)25)17-9-5-4-6-10-17;;;;;/h4-15,18-20,33-35H,16-17,21H2,1-3H3;4-19,30-32H,20H2,1-3H3;5-14,16,26-28H,15,17H2,1-4H3;2*4-15,24-26H,16H2,1-3H3;5*1H
InChIKeyVETGDPSPDZRJTB-UHFFFAOYSA-N
MW2225.80 g/mol
LogP28.54
Rot. Bonds30

About 4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride

4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride (PubChem CID 159854033) has the molecular formula C131H150Cl5FN5O5P5 and a molecular weight of 2225.80 g/mol. Its IUPAC name is 4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride.

Molecular Properties

Compound Name4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride
PubChem CID159854033
Molecular FormulaC131H150Cl5FN5O5P5
Molecular Weight2225.80 g/mol
Exact Mass2221.88
IUPAC Name4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride
SMILESCC(C)(C)NCc1cc(F)ccc1Pc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O.CC(C)(C)NCc1ccccc1Pc1cc(-c2ccccc2)cc(-c2ccccc2)c1O.CC(C)(C)NCc1ccccc1Pc1cc(-c2ccccc2)ccc1O.CC(C)(C)NCc1ccccc1Pc1cccc(-c2ccccc2)c1O.Cc1ccc(Pc2cc(Cc3ccccc3)ccc2O)c(CNC(C)(C)C)c1.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C31H33FNOP.C29H30NOP.C25H30NOP.2C23H26NOP.5ClH/c1-31(2,3)33-21-26-20-27(32)14-15-28(26)35-29-19-24(16-22-10-6-4-7-11-22)18-25(30(29)34)17-23-12-8-5-9-13-23;1-29(2,3)30-20-23-16-10-11-17-26(23)32-27-19-24(21-12-6-4-7-13-21)18-25(28(27)31)22-14-8-5-9-15-22;1-18-10-13-23(21(14-18)17-26-25(2,3)4)28-24-16-20(11-12-22(24)27)15-19-8-6-5-7-9-19;1-23(2,3)24-16-18-12-7-8-14-20(18)26-21-15-9-13-19(22(21)25)17-10-5-4-6-11-17;1-23(2,3)24-16-19-11-7-8-12-21(19)26-22-15-18(13-14-20(22)25)17-9-5-4-6-10-17;;;;;/h4-15,18-20,33-35H,16-17,21H2,1-3H3;4-19,30-32H,20H2,1-3H3;5-14,16,26-28H,15,17H2,1-4H3;2*4-15,24-26H,16H2,1-3H3;5*1H
InChIKeyVETGDPSPDZRJTB-UHFFFAOYSA-N
XLogP28.54
TPSA161.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002225.80
LogP ≤ 528.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride with MolForge

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Related Compounds

4-benzyl-2-[2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylpentan-2-yl]phenol
CID 71039808
2,4-dibenzyl-6-(4-benzylphenyl)phenol
CID 170848286
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
2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol
CID 71191673
4-fluoro-2-[(3-methylphenyl)methyl]phenol
CID 59108977
2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol
CID 166066960
2-[2-[2-[(tert-butylamino)methyl]-6-methylphenyl]phosphanylbutan-2-yl]-6-phenylphenol
CID 71040177
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17054224
2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
CID 134273598
N-[[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-5-methylphenyl]methyl]-2-methylpropan-2-amine;N-[[2-[2-(methoxymethoxy)-3,5-dimethylphenyl]phosphanyl-5-methylphenyl]methyl]-2-methylpropan-2-amine;N-[[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanyl-5-methylphenyl]methyl]-2-methylpropan-2-amine;N-[[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-5-methylphenyl]methyl]-2-methylpropan-2-amine;N-[[2-[2-(methoxymethoxy)phenyl]phosphanyl-5-methylphenyl]methyl]-2-methylpropan-2-amine
CID 158821287
N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911501
1-[2-[2-(3,5-dibenzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]-5-fluorophenyl]ethanone
CID 70807483

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride?
The IUPAC name of 4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride (CID 159854033) is 4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride.
What is the SMILES notation for 4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride?
The canonical SMILES for 4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride is CC(C)(C)NCc1cc(F)ccc1Pc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O.CC(C)(C)NCc1ccccc1Pc1cc(-c2ccccc2)cc(-c2ccccc2)c1O.CC(C)(C)NCc1ccccc1Pc1cc(-c2ccccc2)ccc1O.CC(C)(C)NCc1ccccc1Pc1cccc(-c2ccccc2)c1O.Cc1ccc(Pc2cc(Cc3ccccc3)ccc2O)c(CNC(C)(C)C)c1.Cl.Cl.Cl.Cl.Cl.
What is the InChIKey of 4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride?
The InChIKey is VETGDPSPDZRJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FNOP.C29H30NOP.C25H30NOP.2C23H26NOP.5ClH/c1-31(2,3)33-21-26-20-27(32)14-15-28(26)35-29-19-24(16-22-10-6-4-7-11-22)18-25(30(29)34)17-23-12-8-5-9-13-23;1-29(2,3)30-20-23-16-10-11-17-26(23)32-27-19-24(21-12-6-4-7-13-21)18-25(28(27)31)22-14-8-5-9-15-22;1-18-10-13-23(21(14-18)17-26-25(2,3)4)28-24-16-20(11-12-22(24)27)15-19-8-6-5-7-9-19;1-23(2,3)24-16-18-12-7-8-14-20(18)26-21-15-9-13-19(22(21)25)17-10-5-4-6-11-17;1-23(2,3)24-16-19-11-7-8-12-21(19)26-22-15-18(13-14-20(22)25)17-9-5-4-6-10-17;;;;;/h4-15,18-20,33-35H,16-17,21H2,1-3H3;4-19,30-32H,20H2,1-3H3;5-14,16,26-28H,15,17H2,1-4H3;2*4-15,24-26H,16H2,1-3H3;5*1H.
What are the key properties of 4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride?
4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride has a molecular weight of 2225.80 g/mol, XLogP of 28.54, 30 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[2-[(tert-butylamino)methyl]-4-methylphenyl]phosphanylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4,6-diphenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-4-phenylphenol;2-[2-[(tert-butylamino)methyl]phenyl]phosphanyl-6-phenylphenol;2,4-dibenzyl-6-[2-[(tert-butylamino)methyl]-4-fluorophenyl]phosphanylphenol;pentahydrochloride is sourced from PubChem (CID 159854033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).