2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol

C57H60N2O2 — CID 171500786

IUPAC2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol
SMILESCC(C)(c1ccccc1)c1cc(/C=N/c2ccccc2/N=C\c2cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c2O)cc(C(C)(C)c2ccccc2)c1.CO
InChIInChI=1S/C56H56N2O.CH4O/c1-53(2,42-23-13-9-14-24-42)46-33-40(34-47(36-46)54(3,4)43-25-15-10-16-26-43)38-57-50-31-21-22-32-51(50)58-39-41-35-48(55(5,6)44-27-17-11-18-28-44)37-49(52(41)59)56(7,8)45-29-19-12-20-30-45;1-2/h9-39,59H,1-8H3;2H,1H3/b57-38+,58-39-;
InChIKeyFQQUCSKXGVEVDD-CHIJJNMASA-N
MW805.12 g/mol
LogP13.81
Rot. Bonds12

About 2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol

2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol (PubChem CID 171500786) has the molecular formula C57H60N2O2 and a molecular weight of 805.12 g/mol. Its IUPAC name is 2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol.

Molecular Properties

Compound Name2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol
PubChem CID171500786
Molecular FormulaC57H60N2O2
Molecular Weight805.12 g/mol
Exact Mass804.47
IUPAC Name2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol
SMILESCC(C)(c1ccccc1)c1cc(/C=N/c2ccccc2/N=C\c2cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c2O)cc(C(C)(C)c2ccccc2)c1.CO
InChIInChI=1S/C56H56N2O.CH4O/c1-53(2,42-23-13-9-14-24-42)46-33-40(34-47(36-46)54(3,4)43-25-15-10-16-26-43)38-57-50-31-21-22-32-51(50)58-39-41-35-48(55(5,6)44-27-17-11-18-28-44)37-49(52(41)59)56(7,8)45-29-19-12-20-30-45;1-2/h9-39,59H,1-8H3;2H,1H3/b57-38+,58-39-;
InChIKeyFQQUCSKXGVEVDD-CHIJJNMASA-N
XLogP13.81
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.12
LogP ≤ 513.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(2-phenylpropan-2-yl)-6-[(2-propan-2-ylphenyl)iminomethyl]phenol
CID 136694058
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 136760092
2-[1-(1-adamantyl)ethyliminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 137234439
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
2,4-ditert-butyl-6-[(2-sulfanylphenyl)iminomethyl]phenol;titanium
CID 160643890
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
CID 135980172
2,4-ditert-butyl-6-[[2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 137211461
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
CID 143795526
3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzaldehyde
CID 175778675
2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol
CID 173494309

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol?
The IUPAC name of 2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol (CID 171500786) is 2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol.
What is the SMILES notation for 2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol?
The canonical SMILES for 2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol is CC(C)(c1ccccc1)c1cc(/C=N/c2ccccc2/N=C\c2cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c2O)cc(C(C)(C)c2ccccc2)c1.CO.
What is the InChIKey of 2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol?
The InChIKey is FQQUCSKXGVEVDD-CHIJJNMASA-N. The full InChI is InChI=1S/C56H56N2O.CH4O/c1-53(2,42-23-13-9-14-24-42)46-33-40(34-47(36-46)54(3,4)43-25-15-10-16-26-43)38-57-50-31-21-22-32-51(50)58-39-41-35-48(55(5,6)44-27-17-11-18-28-44)37-49(52(41)59)56(7,8)45-29-19-12-20-30-45;1-2/h9-39,59H,1-8H3;2H,1H3/b57-38+,58-39-;.
What are the key properties of 2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol?
2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol has a molecular weight of 805.12 g/mol, XLogP of 13.81, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol is sourced from PubChem (CID 171500786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).