4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol

C32H42N2O — CID 135997123

IUPAC4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol
SMILESCC(C)c1cc(Cc2cc(C(C)C)c(/N=C/c3ccc(O)cc3)c(C(C)C)c2)cc(C(C)C)c1N
InChIInChI=1S/C32H42N2O/c1-19(2)27-14-24(15-28(20(3)4)31(27)33)13-25-16-29(21(5)6)32(30(17-25)22(7)8)34-18-23-9-11-26(35)12-10-23/h9-12,14-22,35H,13,33H2,1-8H3/b34-18+
InChIKeyGGHULKDRSFDLBA-FABQOPTDSA-N
MW470.70 g/mol
LogP8.81
Rot. Bonds8

About 4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol

4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol (PubChem CID 135997123) has the molecular formula C32H42N2O and a molecular weight of 470.70 g/mol. Its IUPAC name is 4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol
PubChem CID135997123
Molecular FormulaC32H42N2O
Molecular Weight470.70 g/mol
Exact Mass470.33
IUPAC Name4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol
SMILESCC(C)c1cc(Cc2cc(C(C)C)c(/N=C/c3ccc(O)cc3)c(C(C)C)c2)cc(C(C)C)c1N
InChIInChI=1S/C32H42N2O/c1-19(2)27-14-24(15-28(20(3)4)31(27)33)13-25-16-29(21(5)6)32(30(17-25)22(7)8)34-18-23-9-11-26(35)12-10-23/h9-12,14-22,35H,13,33H2,1-8H3/b34-18+
InChIKeyGGHULKDRSFDLBA-FABQOPTDSA-N
XLogP8.81
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 58.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol (CID 135997123) is 4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol is CC(C)c1cc(Cc2cc(C(C)C)c(/N=C/c3ccc(O)cc3)c(C(C)C)c2)cc(C(C)C)c1N.
What is the InChIKey of 4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is GGHULKDRSFDLBA-FABQOPTDSA-N. The full InChI is InChI=1S/C32H42N2O/c1-19(2)27-14-24(15-28(20(3)4)31(27)33)13-25-16-29(21(5)6)32(30(17-25)22(7)8)34-18-23-9-11-26(35)12-10-23/h9-12,14-22,35H,13,33H2,1-8H3/b34-18+.
What are the key properties of 4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol?
4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 470.70 g/mol, XLogP of 8.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135997123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).