2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol

C34H34N4O2 — CID 136732184

IUPAC2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol
SMILESCC(C)(C)c1cccc(/C=N/c2cc3nc4ccccc4nc3cc2/N=C/c2cccc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C34H34N4O2/c1-33(2,3)23-13-9-11-21(31(23)39)19-35-27-17-29-30(38-26-16-8-7-15-25(26)37-29)18-28(27)36-20-22-12-10-14-24(32(22)40)34(4,5)6/h7-20,39-40H,1-6H3/b35-19+,36-20+
InChIKeyZASMBELSDKKHDO-CQFWSYKGSA-N
MW530.67 g/mol
LogP8.29
Rot. Bonds4

About 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol

2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol (PubChem CID 136732184) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol
PubChem CID136732184
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol
SMILESCC(C)(C)c1cccc(/C=N/c2cc3nc4ccccc4nc3cc2/N=C/c2cccc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C34H34N4O2/c1-33(2,3)23-13-9-11-21(31(23)39)19-35-27-17-29-30(38-26-16-8-7-15-25(26)37-29)18-28(27)36-20-22-12-10-14-24(32(22)40)34(4,5)6/h7-20,39-40H,1-6H3/b35-19+,36-20+
InChIKeyZASMBELSDKKHDO-CQFWSYKGSA-N
XLogP8.29
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 58.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol?
The IUPAC name of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol (CID 136732184) is 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol is CC(C)(C)c1cccc(/C=N/c2cc3nc4ccccc4nc3cc2/N=C/c2cccc(C(C)(C)C)c2O)c1O.
What is the InChIKey of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol?
The InChIKey is ZASMBELSDKKHDO-CQFWSYKGSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-33(2,3)23-13-9-11-21(31(23)39)19-35-27-17-29-30(38-26-16-8-7-15-25(26)37-29)18-28(27)36-20-22-12-10-14-24(32(22)40)34(4,5)6/h7-20,39-40H,1-6H3/b35-19+,36-20+.
What are the key properties of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol?
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol has a molecular weight of 530.67 g/mol, XLogP of 8.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenol is sourced from PubChem (CID 136732184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).