5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine

C226H144N15OP — CID 165108633

IUPAC5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3nc4ccccc4c4c(-c5ccccc5)cc5nc(-c6ccccc6)c(-c6ccccc6)nc5c34)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c(-c6ccccc6)cc6nc(-c7ccccc7)c(-c7ccccc7)nc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4ccccc4)c4c5ccccc5nc(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)c4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4ccccc4)c4c5ccccc5nc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4c3nc2-c2ccccc2)cc1
InChIInChI=1S/C57H36N4.C57H38N3OP.C57H35N3.C55H35N5/c1-4-17-38(18-5-1)47-36-49-57(60-56(40-21-8-3-9-22-40)55(59-49)39-19-6-2-7-20-39)53-52(47)46-27-10-13-28-48(46)58-54(53)42-24-16-23-41(35-42)37-31-33-43(34-32-37)61-50-29-14-11-25-44(50)45-26-12-15-30-51(45)61;61-62(45-27-12-4-13-28-45,46-29-14-5-15-30-46)47-35-33-39(34-36-47)43-25-18-26-44(37-43)54-53-52(48-31-16-17-32-50(48)58-54)49(40-19-6-1-7-20-40)38-51-57(53)60-56(42-23-10-3-11-24-42)55(59-51)41-21-8-2-9-22-41;1-4-17-36(18-5-1)48-35-51-57(60-56(38-21-8-3-9-22-38)55(59-51)37-19-6-2-7-20-37)53-52(48)47-29-14-15-30-50(47)58-54(53)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;1-6-19-36(20-7-1)44-34-48-54(60-53(39-25-12-4-13-26-39)52(57-48)38-23-10-3-11-24-38)50-49(44)43-31-16-17-32-45(43)56-51(50)42-30-18-29-41(33-42)47-35-46(37-21-8-2-9-22-37)58-55(59-47)40-27-14-5-15-28-40/h1-36H;1-38H;2*1-35H
InChIKeyZOPPVDILHFWRQW-UHFFFAOYSA-N
MW3116.72 g/mol
LogP56.98
Rot. Bonds26

About 5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine

5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine (PubChem CID 165108633) has the molecular formula C226H144N15OP and a molecular weight of 3116.72 g/mol. Its IUPAC name is 5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine.

Molecular Properties

Compound Name5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
PubChem CID165108633
Molecular FormulaC226H144N15OP
Molecular Weight3116.72 g/mol
Exact Mass3114.14
IUPAC Name5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3nc4ccccc4c4c(-c5ccccc5)cc5nc(-c6ccccc6)c(-c6ccccc6)nc5c34)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c(-c6ccccc6)cc6nc(-c7ccccc7)c(-c7ccccc7)nc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4ccccc4)c4c5ccccc5nc(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)c4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4ccccc4)c4c5ccccc5nc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4c3nc2-c2ccccc2)cc1
InChIInChI=1S/C57H36N4.C57H38N3OP.C57H35N3.C55H35N5/c1-4-17-38(18-5-1)47-36-49-57(60-56(40-21-8-3-9-22-40)55(59-49)39-19-6-2-7-20-39)53-52(47)46-27-10-13-28-48(46)58-54(53)42-24-16-23-41(35-42)37-31-33-43(34-32-37)61-50-29-14-11-25-44(50)45-26-12-15-30-51(45)61;61-62(45-27-12-4-13-28-45,46-29-14-5-15-30-46)47-35-33-39(34-36-47)43-25-18-26-44(37-43)54-53-52(48-31-16-17-32-50(48)58-54)49(40-19-6-1-7-20-40)38-51-57(53)60-56(42-23-10-3-11-24-42)55(59-51)41-21-8-2-9-22-41;1-4-17-36(18-5-1)48-35-51-57(60-56(38-21-8-3-9-22-38)55(59-51)37-19-6-2-7-20-37)53-52(48)47-29-14-15-30-50(47)58-54(53)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;1-6-19-36(20-7-1)44-34-48-54(60-53(39-25-12-4-13-26-39)52(57-48)38-23-10-3-11-24-38)50-49(44)43-31-16-17-32-45(43)56-51(50)42-30-18-29-41(33-42)47-35-46(37-21-8-2-9-22-37)58-55(59-47)40-27-14-5-15-28-40/h1-36H;1-38H;2*1-35H
InChIKeyZOPPVDILHFWRQW-UHFFFAOYSA-N
XLogP56.98
TPSA202.46 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003116.72
LogP ≤ 556.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine with MolForge

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Related Compounds

11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
CID 164995217
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
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11-isocyano-2,3-diphenylpyrazino[2,3-i]phenanthridine;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-isocyano-2,3-diphenylpyrazino[2,3-i]phenanthridine;11-isocyano-2,3-diphenyl-5-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
CID 165031631
3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine
CID 157389008
3-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;3-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 158712117
3-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548563
3-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 139366763
5-[2-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-isocyano-2,3-diphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(2-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
CID 165021536
2-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 139366734
6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine
CID 159237544
7-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
CID 165016104
11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine
CID 164767654

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine?
The IUPAC name of 5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine (CID 165108633) is 5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine.
What is the SMILES notation for 5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine?
The canonical SMILES for 5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3nc4ccccc4c4c(-c5ccccc5)cc5nc(-c6ccccc6)c(-c6ccccc6)nc5c34)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c(-c6ccccc6)cc6nc(-c7ccccc7)c(-c7ccccc7)nc6c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4ccccc4)c4c5ccccc5nc(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)c4c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4ccccc4)c4c5ccccc5nc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4c3nc2-c2ccccc2)cc1.
What is the InChIKey of 5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine?
The InChIKey is ZOPPVDILHFWRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4.C57H38N3OP.C57H35N3.C55H35N5/c1-4-17-38(18-5-1)47-36-49-57(60-56(40-21-8-3-9-22-40)55(59-49)39-19-6-2-7-20-39)53-52(47)46-27-10-13-28-48(46)58-54(53)42-24-16-23-41(35-42)37-31-33-43(34-32-37)61-50-29-14-11-25-44(50)45-26-12-15-30-51(45)61;61-62(45-27-12-4-13-28-45,46-29-14-5-15-30-46)47-35-33-39(34-36-47)43-25-18-26-44(37-43)54-53-52(48-31-16-17-32-50(48)58-54)49(40-19-6-1-7-20-40)38-51-57(53)60-56(42-23-10-3-11-24-42)55(59-51)41-21-8-2-9-22-41;1-4-17-36(18-5-1)48-35-51-57(60-56(38-21-8-3-9-22-38)55(59-51)37-19-6-2-7-20-37)53-52(48)47-29-14-15-30-50(47)58-54(53)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;1-6-19-36(20-7-1)44-34-48-54(60-53(39-25-12-4-13-26-39)52(57-48)38-23-10-3-11-24-38)50-49(44)43-31-16-17-32-45(43)56-51(50)42-30-18-29-41(33-42)47-35-46(37-21-8-2-9-22-37)58-55(59-47)40-27-14-5-15-28-40/h1-36H;1-38H;2*1-35H.
What are the key properties of 5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine?
5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine has a molecular weight of 3116.72 g/mol, XLogP of 56.98, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine is sourced from PubChem (CID 165108633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).