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

C163H102N13OP — CID 165021536

IUPAC5-[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
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)cc1.[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc3ccccc3c12.c1ccc(-c2nc3cc(-c4ccccc4)c4c5ccccc5nc(-c5ccccc5-c5ccc6c7ccccc7c7ccccc7c6c5)c4c3nc2-c2ccccc2)cc1
InChIInChI=1S/C57H38N3OP.C57H35N3.C49H29N7/c61-62(43-26-12-4-13-27-43,44-28-14-5-15-29-44)45-36-34-40(35-37-45)46-30-16-17-31-47(46)56-53-52(48-32-18-19-33-50(48)58-56)49(39-20-6-1-7-21-39)38-51-57(53)60-55(42-24-10-3-11-25-42)54(59-51)41-22-8-2-9-23-41;1-4-18-36(19-5-1)48-35-51-57(60-55(38-22-8-3-9-23-38)54(59-51)37-20-6-2-7-21-37)53-52(48)47-30-16-17-31-50(47)58-56(53)46-29-15-10-24-40(46)39-32-33-45-43-27-12-11-25-41(43)42-26-13-14-28-44(42)49(45)34-39;1-50-39-30-40-46(53-45(32-18-8-3-9-19-32)44(52-40)31-16-6-2-7-17-31)42-41(39)37-24-14-15-25-38(37)51-43(42)33-26-28-36(29-27-33)49-55-47(34-20-10-4-11-21-34)54-48(56-49)35-22-12-5-13-23-35/h1-38H;1-35H;2-30H
InChIKeyLFQFXKGBQCAOJV-UHFFFAOYSA-N
MW2289.67 g/mol
LogP40.50
Rot. Bonds19

About 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

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 (PubChem CID 165021536) has the molecular formula C163H102N13OP and a molecular weight of 2289.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID165021536
Molecular FormulaC163H102N13OP
Molecular Weight2289.67 g/mol
Exact Mass2287.81
IUPAC Name5-[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
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)cc1.[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc3ccccc3c12.c1ccc(-c2nc3cc(-c4ccccc4)c4c5ccccc5nc(-c5ccccc5-c5ccc6c7ccccc7c7ccccc7c6c5)c4c3nc2-c2ccccc2)cc1
InChIInChI=1S/C57H38N3OP.C57H35N3.C49H29N7/c61-62(43-26-12-4-13-27-43,44-28-14-5-15-29-44)45-36-34-40(35-37-45)46-30-16-17-31-47(46)56-53-52(48-32-18-19-33-50(48)58-56)49(39-20-6-1-7-21-39)38-51-57(53)60-55(42-24-10-3-11-25-42)54(59-51)41-22-8-2-9-23-41;1-4-18-36(19-5-1)48-35-51-57(60-55(38-22-8-3-9-23-38)54(59-51)37-20-6-2-7-21-37)53-52(48)47-30-16-17-31-50(47)58-56(53)46-29-15-10-24-40(46)39-32-33-45-43-27-12-11-25-41(43)42-26-13-14-28-44(42)49(45)34-39;1-50-39-30-40-46(53-45(32-18-8-3-9-19-32)44(52-40)31-16-6-2-7-17-31)42-41(39)37-24-14-15-25-38(37)51-43(42)33-26-28-36(29-27-33)49-55-47(34-20-10-4-11-21-34)54-48(56-49)35-22-12-5-13-23-35/h1-38H;1-35H;2-30H
InChIKeyLFQFXKGBQCAOJV-UHFFFAOYSA-N
XLogP40.50
TPSA176.11 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002289.67
LogP ≤ 540.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine
CID 164767654
7-[2-(4-diphenylphosphorylphenyl)phenyl]-5-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine
CID 164767600
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
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
7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine
CID 164767619
6-isocyano-2,3-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
CID 164767837
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
10-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146548847
10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine
CID 146548515
7-[3-(4-diphenylphosphorylphenyl)phenyl]-5-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine
CID 165074440
3-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549903
6-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383072

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2-c2nc3ccccc3c3c(-c4ccccc4)cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c23)cc1.[C-]#[N+]c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc3ccccc3c12.c1ccc(-c2nc3cc(-c4ccccc4)c4c5ccccc5nc(-c5ccccc5-c5ccc6c7ccccc7c7ccccc7c6c5)c4c3nc2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is LFQFXKGBQCAOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N3OP.C57H35N3.C49H29N7/c61-62(43-26-12-4-13-27-43,44-28-14-5-15-29-44)45-36-34-40(35-37-45)46-30-16-17-31-47(46)56-53-52(48-32-18-19-33-50(48)58-56)49(39-20-6-1-7-21-39)38-51-57(53)60-55(42-24-10-3-11-25-42)54(59-51)41-22-8-2-9-23-41;1-4-18-36(19-5-1)48-35-51-57(60-55(38-22-8-3-9-23-38)54(59-51)37-20-6-2-7-21-37)53-52(48)47-30-16-17-31-50(47)58-56(53)46-29-15-10-24-40(46)39-32-33-45-43-27-12-11-25-41(43)42-26-13-14-28-44(42)49(45)34-39;1-50-39-30-40-46(53-45(32-18-8-3-9-19-32)44(52-40)31-16-6-2-7-17-31)42-41(39)37-24-14-15-25-38(37)51-43(42)33-26-28-36(29-27-33)49-55-47(34-20-10-4-11-21-34)54-48(56-49)35-22-12-5-13-23-35/h1-38H;1-35H;2-30H.
What are the key properties of 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?
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 has a molecular weight of 2289.67 g/mol, XLogP of 40.50, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165021536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).