7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine

C35H21F3N2 — CID 58224563

IUPAC7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESFC(F)(F)c1ccc(-c2cnc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2)cc1
InChIInChI=1S/C35H21F3N2/c36-35(37,38)27-15-11-24(12-16-27)32-21-39-33-28-17-13-25(22-7-3-1-4-8-22)19-30(28)31-20-26(23-9-5-2-6-10-23)14-18-29(31)34(33)40-32/h1-21H
InChIKeyCFVSORIODZZLHR-UHFFFAOYSA-N
MW526.56 g/mol
LogP9.96
Rot. Bonds3

About 7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine

7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 58224563) has the molecular formula C35H21F3N2 and a molecular weight of 526.56 g/mol. Its IUPAC name is 7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID58224563
Molecular FormulaC35H21F3N2
Molecular Weight526.56 g/mol
Exact Mass526.17
IUPAC Name7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESFC(F)(F)c1ccc(-c2cnc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2)cc1
InChIInChI=1S/C35H21F3N2/c36-35(37,38)27-15-11-24(12-16-27)32-21-39-33-28-17-13-25(22-7-3-1-4-8-22)19-30(28)31-20-26(23-9-5-2-6-10-23)14-18-29(31)34(33)40-32/h1-21H
InChIKeyCFVSORIODZZLHR-UHFFFAOYSA-N
XLogP9.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.56
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine 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 7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine (CID 58224563) is 7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine is FC(F)(F)c1ccc(-c2cnc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2)cc1.
What is the InChIKey of 7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is CFVSORIODZZLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21F3N2/c36-35(37,38)27-15-11-24(12-16-27)32-21-39-33-28-17-13-25(22-7-3-1-4-8-22)19-30(28)31-20-26(23-9-5-2-6-10-23)14-18-29(31)34(33)40-32/h1-21H.
What are the key properties of 7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine?
7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 526.56 g/mol, XLogP of 9.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58224563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).