2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine

C45H26F3N3 — CID 164767664

IUPAC2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine
SMILESFc1cc(-c2cccc(-c3nc4ccccc4c4c3cc(-c3ccccc3)c3nc(-c5ccccc5)c(-c5ccccc5)nc34)c2)cc(F)c1F
InChIInChI=1S/C45H26F3N3/c46-36-24-32(25-37(47)40(36)48)30-19-12-20-31(23-30)41-35-26-34(27-13-4-1-5-14-27)44-45(39(35)33-21-10-11-22-38(33)49-41)51-43(29-17-8-3-9-18-29)42(50-44)28-15-6-2-7-16-28/h1-26H
InChIKeyKFMDRQMQLJSPOU-UHFFFAOYSA-N
MW665.72 g/mol
LogP12.08
Rot. Bonds5

About 2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine

2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine (PubChem CID 164767664) has the molecular formula C45H26F3N3 and a molecular weight of 665.72 g/mol. Its IUPAC name is 2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine.

Molecular Properties

Compound Name2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine
PubChem CID164767664
Molecular FormulaC45H26F3N3
Molecular Weight665.72 g/mol
Exact Mass665.21
IUPAC Name2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine
SMILESFc1cc(-c2cccc(-c3nc4ccccc4c4c3cc(-c3ccccc3)c3nc(-c5ccccc5)c(-c5ccccc5)nc34)c2)cc(F)c1F
InChIInChI=1S/C45H26F3N3/c46-36-24-32(25-37(47)40(36)48)30-19-12-20-31(23-30)41-35-26-34(27-13-4-1-5-14-27)44-45(39(35)33-21-10-11-22-38(33)49-41)51-43(29-17-8-3-9-18-29)42(50-44)28-15-6-2-7-16-28/h1-26H
InChIKeyKFMDRQMQLJSPOU-UHFFFAOYSA-N
XLogP12.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.72
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine with MolForge

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

Launch Full Analysis

Related Compounds

2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
CID 164767937
4-[2-(4-cyanophenyl)-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridin-3-yl]benzonitrile
CID 167063988
2,3-diphenyl-7-[4-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine-5-carbonitrile
CID 167063941
2,3-diphenyl-5-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine-11-carbonitrile
CID 167064200
4-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)benzonitrile
CID 167064325
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3,5,7-tetraphenylpyrazino[2,3-k]phenanthridine
CID 164767859
3-[2-(4-cyanophenyl)-3-(4-isocyanophenyl)-5-phenylpyrazino[2,3-k]phenanthridin-7-yl]benzonitrile;4-[3-(4-isocyanophenyl)-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-5-phenylpyrazino[2,3-k]phenanthridin-2-yl]benzonitrile
CID 165030114
7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine
CID 167063919
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167619520
2,3-bis(4-cyanophenyl)-7-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine-5-carbonitrile
CID 167063903
7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile
CID 167064080
4-[3-(4-isocyanophenyl)-5-(2,3,4,5,6-pentafluorophenyl)-7-phenylpyrazino[2,3-k]phenanthridin-2-yl]benzonitrile
CID 164767885

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine?
The IUPAC name of 2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine (CID 164767664) is 2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine.
What is the SMILES notation for 2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine?
The canonical SMILES for 2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine is Fc1cc(-c2cccc(-c3nc4ccccc4c4c3cc(-c3ccccc3)c3nc(-c5ccccc5)c(-c5ccccc5)nc34)c2)cc(F)c1F.
What is the InChIKey of 2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine?
The InChIKey is KFMDRQMQLJSPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26F3N3/c46-36-24-32(25-37(47)40(36)48)30-19-12-20-31(23-30)41-35-26-34(27-13-4-1-5-14-27)44-45(39(35)33-21-10-11-22-38(33)49-41)51-43(29-17-8-3-9-18-29)42(50-44)28-15-6-2-7-16-28/h1-26H.
What are the key properties of 2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine?
2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine has a molecular weight of 665.72 g/mol, XLogP of 12.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine is sourced from PubChem (CID 164767664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).