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

C35H29F3N8O — CID 137150175

IUPAC2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol
SMILESCc1cc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5cccc(C(F)(F)F)c5)cc4C)cc3C)cc2C)ccc1O
InChIInChI=1S/C35H29F3N8O/c1-21-16-27(40-39-26-7-5-6-25(20-26)35(36,37)38)8-12-31(21)44-41-28-9-13-32(22(2)17-28)45-42-29-10-14-33(23(3)18-29)46-43-30-11-15-34(47)24(4)19-30/h5-20,47H,1-4H3/b40-39+,44-41+,45-42+,46-43+
InChIKeyDVIXFAZSLMWPTQ-LDMAHMOQSA-N
MW634.67 g/mol
LogP13.31
Rot. Bonds8

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

2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol (PubChem CID 137150175) has the molecular formula C35H29F3N8O and a molecular weight of 634.67 g/mol. Its IUPAC name is 2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol
PubChem CID137150175
Molecular FormulaC35H29F3N8O
Molecular Weight634.67 g/mol
Exact Mass634.24
IUPAC Name2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol
SMILESCc1cc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5cccc(C(F)(F)F)c5)cc4C)cc3C)cc2C)ccc1O
InChIInChI=1S/C35H29F3N8O/c1-21-16-27(40-39-26-7-5-6-25(20-26)35(36,37)38)8-12-31(21)44-41-28-9-13-32(22(2)17-28)45-42-29-10-14-33(23(3)18-29)46-43-30-11-15-34(47)24(4)19-30/h5-20,47H,1-4H3/b40-39+,44-41+,45-42+,46-43+
InChIKeyDVIXFAZSLMWPTQ-LDMAHMOQSA-N
XLogP13.31
TPSA119.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.67
LogP ≤ 513.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]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-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol?
The IUPAC name of 2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol (CID 137150175) is 2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol.
What is the SMILES notation for 2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol?
The canonical SMILES for 2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol is Cc1cc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5cccc(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-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol?
The InChIKey is DVIXFAZSLMWPTQ-LDMAHMOQSA-N. The full InChI is InChI=1S/C35H29F3N8O/c1-21-16-27(40-39-26-7-5-6-25(20-26)35(36,37)38)8-12-31(21)44-41-28-9-13-32(22(2)17-28)45-42-29-10-14-33(23(3)18-29)46-43-30-11-15-34(47)24(4)19-30/h5-20,47H,1-4H3/b40-39+,44-41+,45-42+,46-43+.
What are the key properties of 2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol?
2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol has a molecular weight of 634.67 g/mol, XLogP of 13.31, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol is sourced from PubChem (CID 137150175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).