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

C98H105N10O5P5 — CID 172946804

IUPAC2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[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(O)c(Pc2ccccc2/C=N/n2cccc2)c1.Cc1ccc(O)c(Pc2ccccc2/C=N/n2cccc2)c1.Cc1cccc(Pc2ccccc2/C=N/n2cccc2)c1O.Oc1ccccc1Pc1ccccc1/C=N/n1cccc1
InChIInChI=1S/C26H37N2OP.C19H19N2OP.2C18H17N2OP.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;1-14-11-15(2)19(22)18(12-14)23-17-8-4-3-7-16(17)13-20-21-9-5-6-10-21;1-14-7-6-10-17(18(14)21)22-16-9-3-2-8-15(16)13-19-20-11-4-5-12-20;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;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;3-13,22-23H,1-2H3;2*2-13,21-22H,1H3;1-13,20-21H/b27-18+;20-13+;2*19-13+;18-13+
InChIKeyNXAXCKVRVUXPQS-QOMSNGOISA-N
MW1657.85 g/mol
LogP17.49
Rot. Bonds20

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

2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol (PubChem CID 172946804) has the molecular formula C98H105N10O5P5 and a molecular weight of 1657.85 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol
PubChem CID172946804
Molecular FormulaC98H105N10O5P5
Molecular Weight1657.85 g/mol
Exact Mass1656.70
IUPAC Name2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[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(O)c(Pc2ccccc2/C=N/n2cccc2)c1.Cc1ccc(O)c(Pc2ccccc2/C=N/n2cccc2)c1.Cc1cccc(Pc2ccccc2/C=N/n2cccc2)c1O.Oc1ccccc1Pc1ccccc1/C=N/n1cccc1
InChIInChI=1S/C26H37N2OP.C19H19N2OP.2C18H17N2OP.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;1-14-11-15(2)19(22)18(12-14)23-17-8-4-3-7-16(17)13-20-21-9-5-6-10-21;1-14-7-6-10-17(18(14)21)22-16-9-3-2-8-15(16)13-19-20-11-4-5-12-20;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;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;3-13,22-23H,1-2H3;2*2-13,21-22H,1H3;1-13,20-21H/b27-18+;20-13+;2*19-13+;18-13+
InChIKeyNXAXCKVRVUXPQS-QOMSNGOISA-N
XLogP17.49
TPSA185.91 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.85
LogP ≤ 517.49
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 2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[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-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
Tris(4-(dimethylamino)-2,6-diphenylphenol);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);tris(pyrrol-1-ide);2,4,6-tritert-butylphenol
CID 157298900
Tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;tetrakis(pyrrol-1-ide);2,4,6-triphenylphenol
CID 157427263
1-Adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;tetrakis(2,6-bis(2,4,6-trimethylphenyl)phenol);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;(2-methyl-2-phenylpropylidene)-(2-propan-2-ylphenyl)iminomolybdenum;tetrakis(pyrrol-1-ide)
CID 157693054
Tris(2,5-dimethylpyrrol-1-ide);bis((2-methyl-2-phenylpropylidene)-oxotungsten);4-methyl-2,3,5,6-tetraphenylphenol;bis(pyridine)
CID 157695344
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
2,5-Dimethylpyrrol-1-ide;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(4-methyl-2,6-diphenylphenol);bis(pyrrol-1-ide);2,4,6-triphenylphenol
CID 158970872
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
Bis(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;bis(2,4,6-triphenylphenol)
CID 159589406

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol?
The IUPAC name of 2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol (CID 172946804) is 2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol?
The canonical SMILES for 2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[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(O)c(Pc2ccccc2/C=N/n2cccc2)c1.Cc1ccc(O)c(Pc2ccccc2/C=N/n2cccc2)c1.Cc1cccc(Pc2ccccc2/C=N/n2cccc2)c1O.Oc1ccccc1Pc1ccccc1/C=N/n1cccc1.
What is the InChIKey of 2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol?
The InChIKey is NXAXCKVRVUXPQS-QOMSNGOISA-N. The full InChI is InChI=1S/C26H37N2OP.C19H19N2OP.2C18H17N2OP.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;1-14-11-15(2)19(22)18(12-14)23-17-8-4-3-7-16(17)13-20-21-9-5-6-10-21;1-14-7-6-10-17(18(14)21)22-16-9-3-2-8-15(16)13-19-20-11-4-5-12-20;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;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;3-13,22-23H,1-2H3;2*2-13,21-22H,1H3;1-13,20-21H/b27-18+;20-13+;2*19-13+;18-13+.
What are the key properties of 2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol?
2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol has a molecular weight of 1657.85 g/mol, XLogP of 17.49, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-dimethyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;4-methyl-2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol is sourced from PubChem (CID 172946804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).