2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol

C106H117N10O5P5 — CID 172921368

IUPAC2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol
SMILESCC(C)(C)c1cc(Pc2ccccc2/C=N/n2cccc2)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(Pc2ccccc2/C=N/n2cccc2)c1O.Cc1cc(C)c(O)c(Pc2ccccc2/C=N/n2cccc2)c1.Cc1cc(Pc2ccccc2/C=N/n2cccc2)c(O)c(C(C)(C)C)c1.Cc1ccc(O)c(Pc2ccccc2/C=N/n2cccc2)c1
InChIInChI=1S/C25H31N2OP.2C22H25N2OP.C19H19N2OP.C18H17N2OP/c1-24(2,3)19-15-20(25(4,5)6)23(28)22(16-19)29-21-12-8-7-11-18(21)17-26-27-13-9-10-14-27;1-16-13-18(22(2,3)4)14-20(21(16)25)26-19-10-6-5-9-17(19)15-23-24-11-7-8-12-24;1-16-13-18(22(2,3)4)21(25)20(14-16)26-19-10-6-5-9-17(19)15-23-24-11-7-8-12-24;1-14-11-15(2)19(22)18(12-14)23-17-8-4-3-7-16(17)13-20-21-9-5-6-10-21;1-14-8-9-16(21)18(12-14)22-17-7-3-2-6-15(17)13-19-20-10-4-5-11-20/h7-17,28-29H,1-6H3;2*5-15,25-26H,1-4H3;3-13,22-23H,1-2H3;2-13,21-22H,1H3/b26-17+;2*23-15+;20-13+;19-13+
InChIKeyUTLRDJSEWLISIW-OVYPPNFRSA-N
MW1766.04 g/mol
LogP20.26
Rot. Bonds20

About 2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol

2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol (PubChem CID 172921368) has the molecular formula C106H117N10O5P5 and a molecular weight of 1766.04 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol
PubChem CID172921368
Molecular FormulaC106H117N10O5P5
Molecular Weight1766.04 g/mol
Exact Mass1764.79
IUPAC Name2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol
SMILESCC(C)(C)c1cc(Pc2ccccc2/C=N/n2cccc2)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(Pc2ccccc2/C=N/n2cccc2)c1O.Cc1cc(C)c(O)c(Pc2ccccc2/C=N/n2cccc2)c1.Cc1cc(Pc2ccccc2/C=N/n2cccc2)c(O)c(C(C)(C)C)c1.Cc1ccc(O)c(Pc2ccccc2/C=N/n2cccc2)c1
InChIInChI=1S/C25H31N2OP.2C22H25N2OP.C19H19N2OP.C18H17N2OP/c1-24(2,3)19-15-20(25(4,5)6)23(28)22(16-19)29-21-12-8-7-11-18(21)17-26-27-13-9-10-14-27;1-16-13-18(22(2,3)4)14-20(21(16)25)26-19-10-6-5-9-17(19)15-23-24-11-7-8-12-24;1-16-13-18(22(2,3)4)21(25)20(14-16)26-19-10-6-5-9-17(19)15-23-24-11-7-8-12-24;1-14-11-15(2)19(22)18(12-14)23-17-8-4-3-7-16(17)13-20-21-9-5-6-10-21;1-14-8-9-16(21)18(12-14)22-17-7-3-2-6-15(17)13-19-20-10-4-5-11-20/h7-17,28-29H,1-6H3;2*5-15,25-26H,1-4H3;3-13,22-23H,1-2H3;2-13,21-22H,1H3/b26-17+;2*23-15+;20-13+;19-13+
InChIKeyUTLRDJSEWLISIW-OVYPPNFRSA-N
XLogP20.26
TPSA187.60 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001766.04
LogP ≤ 520.26
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)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol with MolForge

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Related Compounds

[2-[2,6-Bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-methylphenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-methylphenyl)phenoxy]-di(pyrrol-1-yl)phosphane
CID 102577145
2,6-Ditert-butyl-4-pyrazol-1-ylphenol
CID 139145748
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanyl]-4-methylphenol
CID 57533166
2-Tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanyl]-4-methylphenol
CID 76558245
(Z)-1-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine;(Z)-1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine
CID 91423505
2-Cyclohexyl-6-(pyrrol-1-yliminomethyl)phenol;pentakis(dichlorotitanium);2-(3,5-difluorophenyl)-6-(pyrrol-1-yliminomethyl)phenol;4-fluoro-2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-phenyl-6-(pyrrol-1-yliminomethyl)phenol;2-propan-2-yl-6-(pyrrol-1-yliminomethyl)phenol
CID 158317464
Chloro-di(pyrrol-1-yl)phosphane;[2-[6-di(pyrrol-1-yl)phosphanyloxy-2,3-dimethylphenyl]-3,4-dimethylphenoxy]-di(pyrrol-1-yl)phosphane;2-(6-hydroxy-2,3-dimethylphenyl)-3,4-dimethylphenol
CID 158331448
Chloro-di(pyrrol-1-yl)phosphane;[1-[2-di(pyrrol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-di(pyrrol-1-yl)phosphane;1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 159252545
(2,6-Dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-methyl-2,6-diphenylphenol;pyrrol-1-ide;triphenylmethanol;bis(2,4,6-triphenylphenol)
CID 160316032
1-Adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis((3,5-ditert-butyl-4-hydroxyphenyl)-triphenylphosphanium);tris(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis([4-hydroxy-3,5-bis(2,4,6-trimethylphenyl)phenyl]-triphenylphosphanium);pyrrol-1-ide
CID 161042015
Bis(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-fluoro-2,6-diphenylphenol);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide)
CID 161098261
2-[(E)-(2,5-dimethylpyrrol-1-yl)iminomethyl]-4,6-dimethylphenol;tris(2,4-dimethyl-6-[(E)-(2,3,5-trimethylpyrrol-1-yl)iminomethyl]phenol)
CID 172917852

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol (CID 172921368) is 2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol is CC(C)(C)c1cc(Pc2ccccc2/C=N/n2cccc2)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(Pc2ccccc2/C=N/n2cccc2)c1O.Cc1cc(C)c(O)c(Pc2ccccc2/C=N/n2cccc2)c1.Cc1cc(Pc2ccccc2/C=N/n2cccc2)c(O)c(C(C)(C)C)c1.Cc1ccc(O)c(Pc2ccccc2/C=N/n2cccc2)c1.
What is the InChIKey of 2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol?
The InChIKey is UTLRDJSEWLISIW-OVYPPNFRSA-N. The full InChI is InChI=1S/C25H31N2OP.2C22H25N2OP.C19H19N2OP.C18H17N2OP/c1-24(2,3)19-15-20(25(4,5)6)23(28)22(16-19)29-21-12-8-7-11-18(21)17-26-27-13-9-10-14-27;1-16-13-18(22(2,3)4)14-20(21(16)25)26-19-10-6-5-9-17(19)15-23-24-11-7-8-12-24;1-16-13-18(22(2,3)4)21(25)20(14-16)26-19-10-6-5-9-17(19)15-23-24-11-7-8-12-24;1-14-11-15(2)19(22)18(12-14)23-17-8-4-3-7-16(17)13-20-21-9-5-6-10-21;1-14-8-9-16(21)18(12-14)22-17-7-3-2-6-15(17)13-19-20-10-4-5-11-20/h7-17,28-29H,1-6H3;2*5-15,25-26H,1-4H3;3-13,22-23H,1-2H3;2-13,21-22H,1H3/b26-17+;2*23-15+;20-13+;19-13+.
What are the key properties of 2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol?
2-tert-butyl-4-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol has a molecular weight of 1766.04 g/mol, XLogP of 20.26, 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)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol is sourced from PubChem (CID 172921368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).