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

C107H131N10O5P5 — CID 172960859

IUPAC2-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
SMILESCC(C)(C)c1cc(Pc2ccccc2/C=N/N2CCCCC2)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(Pc2ccccc2/C=N/N2CCCCC2)c1O.Cc1cc(Pc2ccccc2/C=N/N2CCCCC2)c(O)c(C(C)(C)C)c1.Cc1cccc(Pc2ccccc2/C=N/n2cccc2)c1O.Oc1ccccc1Pc1ccccc1/C=N/n1cccc1
InChIInChI=1S/C26H37N2OP.2C23H31N2OP.C18H17N2OP.C17H15N2OP/c1-25(2,3)20-16-21(26(4,5)6)24(29)23(17-20)30-22-13-9-8-12-19(22)18-27-28-14-10-7-11-15-28;1-17-14-19(23(2,3)4)15-21(22(17)26)27-20-11-7-6-10-18(20)16-24-25-12-8-5-9-13-25;1-17-14-19(23(2,3)4)22(26)21(15-17)27-20-11-7-6-10-18(20)16-24-25-12-8-5-9-13-25;1-14-7-6-10-17(18(14)21)22-16-9-3-2-8-15(16)13-19-20-11-4-5-12-20;20-15-8-2-4-10-17(15)21-16-9-3-1-7-14(16)13-18-19-11-5-6-12-19/h8-9,12-13,16-18,29-30H,7,10-11,14-15H2,1-6H3;2*6-7,10-11,14-16,26-27H,5,8-9,12-13H2,1-4H3;2-13,21-22H,1H3;1-13,20-21H/b27-18+;2*24-16+;19-13+;18-13+
InChIKeyTXHFPSHAJDSACC-UUJLHVKDSA-N
MW1792.16 g/mol
LogP20.05
Rot. Bonds20

About 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

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 (PubChem CID 172960859) has the molecular formula C107H131N10O5P5 and a molecular weight of 1792.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID172960859
Molecular FormulaC107H131N10O5P5
Molecular Weight1792.16 g/mol
Exact Mass1790.90
IUPAC Name2-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
SMILESCC(C)(C)c1cc(Pc2ccccc2/C=N/N2CCCCC2)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(Pc2ccccc2/C=N/N2CCCCC2)c1O.Cc1cc(Pc2ccccc2/C=N/N2CCCCC2)c(O)c(C(C)(C)C)c1.Cc1cccc(Pc2ccccc2/C=N/n2cccc2)c1O.Oc1ccccc1Pc1ccccc1/C=N/n1cccc1
InChIInChI=1S/C26H37N2OP.2C23H31N2OP.C18H17N2OP.C17H15N2OP/c1-25(2,3)20-16-21(26(4,5)6)24(29)23(17-20)30-22-13-9-8-12-19(22)18-27-28-14-10-7-11-15-28;1-17-14-19(23(2,3)4)15-21(22(17)26)27-20-11-7-6-10-18(20)16-24-25-12-8-5-9-13-25;1-17-14-19(23(2,3)4)22(26)21(15-17)27-20-11-7-6-10-18(20)16-24-25-12-8-5-9-13-25;1-14-7-6-10-17(18(14)21)22-16-9-3-2-8-15(16)13-19-20-11-4-5-12-20;20-15-8-2-4-10-17(15)21-16-9-3-1-7-14(16)13-18-19-11-5-6-12-19/h8-9,12-13,16-18,29-30H,7,10-11,14-15H2,1-6H3;2*6-7,10-11,14-16,26-27H,5,8-9,12-13H2,1-4H3;2-13,21-22H,1H3;1-13,20-21H/b27-18+;2*24-16+;19-13+;18-13+
InChIKeyTXHFPSHAJDSACC-UUJLHVKDSA-N
XLogP20.05
TPSA182.53 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001792.16
LogP ≤ 520.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol
CID 149182518
2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol
CID 76558159
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-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-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-[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
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-(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
1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine
CID 76558150
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-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-4-tert-butyl-6-methylphenol;2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-6-tert-butyl-4-methylphenol;2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-4,6-ditert-butylphenol;2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-4,6-dimethylphenol;2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanyl-6-methylphenol;2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylphenol
CID 158849320

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(Pc2ccccc2/C=N/N2CCCCC2)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(Pc2ccccc2/C=N/N2CCCCC2)c1O.Cc1cc(Pc2ccccc2/C=N/N2CCCCC2)c(O)c(C(C)(C)C)c1.Cc1cccc(Pc2ccccc2/C=N/n2cccc2)c1O.Oc1ccccc1Pc1ccccc1/C=N/n1cccc1.
What is the InChIKey of 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?
The InChIKey is TXHFPSHAJDSACC-UUJLHVKDSA-N. The full InChI is InChI=1S/C26H37N2OP.2C23H31N2OP.C18H17N2OP.C17H15N2OP/c1-25(2,3)20-16-21(26(4,5)6)24(29)23(17-20)30-22-13-9-8-12-19(22)18-27-28-14-10-7-11-15-28;1-17-14-19(23(2,3)4)15-21(22(17)26)27-20-11-7-6-10-18(20)16-24-25-12-8-5-9-13-25;1-17-14-19(23(2,3)4)22(26)21(15-17)27-20-11-7-6-10-18(20)16-24-25-12-8-5-9-13-25;1-14-7-6-10-17(18(14)21)22-16-9-3-2-8-15(16)13-19-20-11-4-5-12-20;20-15-8-2-4-10-17(15)21-16-9-3-1-7-14(16)13-18-19-11-5-6-12-19/h8-9,12-13,16-18,29-30H,7,10-11,14-15H2,1-6H3;2*6-7,10-11,14-16,26-27H,5,8-9,12-13H2,1-4H3;2-13,21-22H,1H3;1-13,20-21H/b27-18+;2*24-16+;19-13+;18-13+.
What are the key properties of 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?
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 has a molecular weight of 1792.16 g/mol, XLogP of 20.05, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172960859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).