2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine

C57H35N3 — CID 164767937

IUPAC2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
SMILESc1ccc(-c2nc3c(-c4ccccc4)cc4c(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)nc5ccccc5c4c3nc2-c2ccccc2)cc1
InChIInChI=1S/C57H35N3/c1-4-17-36(18-5-1)48-35-50-52(57-56(48)59-54(37-19-6-2-7-20-37)55(60-57)38-21-8-3-9-22-38)47-29-14-15-30-51(47)58-53(50)41-24-16-23-39(33-41)40-31-32-46-44-27-11-10-25-42(44)43-26-12-13-28-45(43)49(46)34-40/h1-35H
InChIKeyRTBXPLSOJRUVOS-UHFFFAOYSA-N
MW761.93 g/mol
LogP15.13
Rot. Bonds5

About 2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine

2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine (PubChem CID 164767937) has the molecular formula C57H35N3 and a molecular weight of 761.93 g/mol. Its IUPAC name is 2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine.

Molecular Properties

Compound Name2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
PubChem CID164767937
Molecular FormulaC57H35N3
Molecular Weight761.93 g/mol
Exact Mass761.28
IUPAC Name2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
SMILESc1ccc(-c2nc3c(-c4ccccc4)cc4c(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)nc5ccccc5c4c3nc2-c2ccccc2)cc1
InChIInChI=1S/C57H35N3/c1-4-17-36(18-5-1)48-35-50-52(57-56(48)59-54(37-19-6-2-7-20-37)55(60-57)38-21-8-3-9-22-38)47-29-14-15-30-51(47)58-53(50)41-24-16-23-39(33-41)40-31-32-46-44-27-11-10-25-42(44)43-26-12-13-28-45(43)49(46)34-40/h1-35H
InChIKeyRTBXPLSOJRUVOS-UHFFFAOYSA-N
XLogP15.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.93
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,5-triphenyl-7-[3-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine
CID 164767664
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
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
6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
CID 164767837
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-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline
CID 154589142
8-[4-(5,15,16-triphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13(18),14,16,19(23),20-dodecaen-4-yl)phenyl]-3,18,26,41-tetrazadodecacyclo[22.22.2.02,19.04,17.05,10.011,16.020,48.025,42.027,40.028,33.034,39.043,47]octatetraconta-1(46),2,4(17),5(10),6,8,11,13,15,18,20,22,24(48),25,27(40),28,30,32,34,36,38,41,43(47),44-tetracosaene
CID 163585740
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridine
CID 165383408
5-[3-[2,3-bis(4-cyanophenyl)-11-phenylpyrazino[2,3-i]phenanthridin-5-yl]phenyl]benzene-1,3-dicarbonitrile
CID 167063910
1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline
CID 164716098
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

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine?
The IUPAC name of 2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine (CID 164767937) is 2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine.
What is the SMILES notation for 2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine?
The canonical SMILES for 2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine is c1ccc(-c2nc3c(-c4ccccc4)cc4c(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)nc5ccccc5c4c3nc2-c2ccccc2)cc1.
What is the InChIKey of 2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine?
The InChIKey is RTBXPLSOJRUVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3/c1-4-17-36(18-5-1)48-35-50-52(57-56(48)59-54(37-19-6-2-7-20-37)55(60-57)38-21-8-3-9-22-38)47-29-14-15-30-51(47)58-53(50)41-24-16-23-39(33-41)40-31-32-46-44-27-11-10-25-42(44)43-26-12-13-28-45(43)49(46)34-40/h1-35H.
What are the key properties of 2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine?
2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine has a molecular weight of 761.93 g/mol, XLogP of 15.13, 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-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine is sourced from PubChem (CID 164767937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).