2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol

C35H34F3N5O — CID 122705770

IUPAC2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol
SMILESCc1cc(Nc2ccc(Nc3ccc(Nc4ccc(NNc5cccc(C(F)(F)F)c5)cc4C)cc3C)cc2C)ccc1O
InChIInChI=1S/C35H34F3N5O/c1-21-16-27(40-33-14-10-30(18-23(33)3)43-42-29-7-5-6-25(20-29)35(36,37)38)8-12-31(21)39-26-9-13-32(22(2)17-26)41-28-11-15-34(44)24(4)19-28/h5-20,39-44H,1-4H3
InChIKeyXMEUSSSLDMDIOF-UHFFFAOYSA-N
MW597.69 g/mol
LogP10.31
Rot. Bonds9

About 2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol

2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol (PubChem CID 122705770) has the molecular formula C35H34F3N5O and a molecular weight of 597.69 g/mol. Its IUPAC name is 2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol.

Molecular Properties

Compound Name2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol
PubChem CID122705770
Molecular FormulaC35H34F3N5O
Molecular Weight597.69 g/mol
Exact Mass597.27
IUPAC Name2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol
SMILESCc1cc(Nc2ccc(Nc3ccc(Nc4ccc(NNc5cccc(C(F)(F)F)c5)cc4C)cc3C)cc2C)ccc1O
InChIInChI=1S/C35H34F3N5O/c1-21-16-27(40-33-14-10-30(18-23(33)3)43-42-29-7-5-6-25(20-29)35(36,37)38)8-12-31(21)39-26-9-13-32(22(2)17-26)41-28-11-15-34(44)24(4)19-28/h5-20,39-44H,1-4H3
InChIKeyXMEUSSSLDMDIOF-UHFFFAOYSA-N
XLogP10.31
TPSA80.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500597.69
LogP ≤ 510.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]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-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol?
The IUPAC name of 2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol (CID 122705770) is 2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol.
What is the SMILES notation for 2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol?
The canonical SMILES for 2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol is Cc1cc(Nc2ccc(Nc3ccc(Nc4ccc(NNc5cccc(C(F)(F)F)c5)cc4C)cc3C)cc2C)ccc1O.
What is the InChIKey of 2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol?
The InChIKey is XMEUSSSLDMDIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F3N5O/c1-21-16-27(40-33-14-10-30(18-23(33)3)43-42-29-7-5-6-25(20-29)35(36,37)38)8-12-31(21)39-26-9-13-32(22(2)17-26)41-28-11-15-34(44)24(4)19-28/h5-20,39-44H,1-4H3.
What are the key properties of 2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol?
2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol has a molecular weight of 597.69 g/mol, XLogP of 10.31, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-methyl-4-[2-methyl-4-[2-methyl-4-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]anilino]anilino]anilino]phenol is sourced from PubChem (CID 122705770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).