6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine

C27H19F3NOP — CID 134849928

IUPAC6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine
SMILESCc1ccc2nc(P(=O)(c3ccccc3)c3ccccc3)c3cc(C(F)(F)F)ccc3c2c1
InChIInChI=1S/C27H19F3NOP/c1-18-12-15-25-23(16-18)22-14-13-19(27(28,29)30)17-24(22)26(31-25)33(32,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H3
InChIKeyGTIFRMGPFATTDY-UHFFFAOYSA-N
MW461.42 g/mol
LogP6.35
Rot. Bonds3

About 6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine

6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine (PubChem CID 134849928) has the molecular formula C27H19F3NOP and a molecular weight of 461.42 g/mol. Its IUPAC name is 6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine.

Molecular Properties

Compound Name6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine
PubChem CID134849928
Molecular FormulaC27H19F3NOP
Molecular Weight461.42 g/mol
Exact Mass461.12
IUPAC Name6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine
SMILESCc1ccc2nc(P(=O)(c3ccccc3)c3ccccc3)c3cc(C(F)(F)F)ccc3c2c1
InChIInChI=1S/C27H19F3NOP/c1-18-12-15-25-23(16-18)22-14-13-19(27(28,29)30)17-24(22)26(31-25)33(32,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H3
InChIKeyGTIFRMGPFATTDY-UHFFFAOYSA-N
XLogP6.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.42
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine 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 6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine?
The IUPAC name of 6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine (CID 134849928) is 6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine.
What is the SMILES notation for 6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine?
The canonical SMILES for 6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine is Cc1ccc2nc(P(=O)(c3ccccc3)c3ccccc3)c3cc(C(F)(F)F)ccc3c2c1.
What is the InChIKey of 6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine?
The InChIKey is GTIFRMGPFATTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3NOP/c1-18-12-15-25-23(16-18)22-14-13-19(27(28,29)30)17-24(22)26(31-25)33(32,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H3.
What are the key properties of 6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine?
6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine has a molecular weight of 461.42 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diphenylphosphoryl-2-methyl-8-(trifluoromethyl)phenanthridine is sourced from PubChem (CID 134849928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).