6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine

C40H22F5N3 — CID 165002252

IUPAC6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine
SMILESCc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c1c(-c1cccc(-c3c(F)c(F)c(F)c(F)c3F)c1)nc1ccccc12
InChIInChI=1S/C40H22F5N3/c1-21-19-28-40(48-39(23-13-6-3-7-14-23)38(47-28)22-11-4-2-5-12-22)31-26-17-8-9-18-27(26)46-37(29(21)31)25-16-10-15-24(20-25)30-32(41)34(43)36(45)35(44)33(30)42/h2-20H,1H3
InChIKeyDQGHWMCFRCDZFV-UHFFFAOYSA-N
MW639.63 g/mol
LogP11.00
Rot. Bonds4

About 6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine

6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine (PubChem CID 165002252) has the molecular formula C40H22F5N3 and a molecular weight of 639.63 g/mol. Its IUPAC name is 6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine.

Molecular Properties

Compound Name6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine
PubChem CID165002252
Molecular FormulaC40H22F5N3
Molecular Weight639.63 g/mol
Exact Mass639.17
IUPAC Name6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine
SMILESCc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c1c(-c1cccc(-c3c(F)c(F)c(F)c(F)c3F)c1)nc1ccccc12
InChIInChI=1S/C40H22F5N3/c1-21-19-28-40(48-39(23-13-6-3-7-14-23)38(47-28)22-11-4-2-5-12-22)31-26-17-8-9-18-27(26)46-37(29(21)31)25-16-10-15-24(20-25)30-32(41)34(43)36(45)35(44)33(30)42/h2-20H,1H3
InChIKeyDQGHWMCFRCDZFV-UHFFFAOYSA-N
XLogP11.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.63
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[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

7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine-6-carbonitrile
CID 167064086
2,3-bis(4-cyanophenyl)-5-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine-11-carbonitrile
CID 167064099
4-[2-(4-cyanophenyl)-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazino[2,3-k]phenanthridin-3-yl]benzonitrile
CID 167064277
7-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine
CID 167064162
2,3-diphenyl-5-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-i]phenanthridine-11-carbonitrile
CID 167064200
4-[3-(2,3-diphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]-2,3,5,6-tetrafluorobenzonitrile;7-(4-isocyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine;7-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine
CID 164992936
4-[2-[2-(4-cyanophenyl)-3-(4-isocyanophenyl)-6-methylpyrazino[2,3-k]phenanthridin-7-yl]phenyl]-2,3,5,6-tetrafluorobenzonitrile
CID 165033046
6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
CID 164767837
5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
CID 10006180
4-[6-isocyano-3,7-bis(4-isocyanophenyl)pyrazino[2,3-k]phenanthridin-2-yl]benzonitrile;4-[6-isocyano-3-(4-isocyanophenyl)-7-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazino[2,3-k]phenanthridin-2-yl]benzonitrile
CID 164994853
4-[2-(4-cyanophenyl)-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridin-3-yl]benzonitrile
CID 167063988
2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine
CID 164767664

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine?
The IUPAC name of 6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine (CID 165002252) is 6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine.
What is the SMILES notation for 6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine?
The canonical SMILES for 6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine is Cc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c1c(-c1cccc(-c3c(F)c(F)c(F)c(F)c3F)c1)nc1ccccc12.
What is the InChIKey of 6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine?
The InChIKey is DQGHWMCFRCDZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22F5N3/c1-21-19-28-40(48-39(23-13-6-3-7-14-23)38(47-28)22-11-4-2-5-12-22)31-26-17-8-9-18-27(26)46-37(29(21)31)25-16-10-15-24(20-25)30-32(41)34(43)36(45)35(44)33(30)42/h2-20H,1H3.
What are the key properties of 6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine?
6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine has a molecular weight of 639.63 g/mol, XLogP of 11.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine is sourced from PubChem (CID 165002252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).