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

C151H92N17OP — CID 165074440

IUPAC7-[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
SMILES[C-]#[N+]c1cc2c(-c3cccc(-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc4)c3)nc3ccccc3c2c2nc(-c3ccccc3)c(-c3ccccc3)nc12.[C-]#[N+]c1cc2c(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nc3ccccc3c2c2nc(-c3ccccc3)c(-c3ccccc3)nc12.[C-]#[N+]c1cc2c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc3ccccc3c2c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C52H33N4OP.C50H30N6.C49H29N7/c1-53-46-34-44-47(52-51(46)55-49(36-17-6-2-7-18-36)50(56-52)37-19-8-3-9-20-37)43-27-14-15-28-45(43)54-48(44)39-22-16-21-38(33-39)35-29-31-42(32-30-35)58(57,40-23-10-4-11-24-40)41-25-12-5-13-26-41;1-51-43-30-39-44(49-48(43)55-45(33-20-8-3-9-21-33)46(56-49)34-22-10-4-11-23-34)38-28-16-17-29-40(38)52-47(39)37-27-15-14-26-36(37)42-31-41(32-18-6-2-7-19-32)53-50(54-42)35-24-12-5-13-25-35;1-50-40-30-38-41(46-45(40)52-42(31-18-6-2-7-19-31)43(53-46)32-20-8-3-9-21-32)37-28-16-17-29-39(37)51-44(38)35-26-14-15-27-36(35)49-55-47(33-22-10-4-11-23-33)54-48(56-49)34-24-12-5-13-25-34/h2-34H;2-31H;2-30H
InChIKeyUBLIRRLTOQRKPU-UHFFFAOYSA-N
MW2191.49 g/mol
LogP36.93
Rot. Bonds19

About 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

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 (PubChem CID 165074440) has the molecular formula C151H92N17OP and a molecular weight of 2191.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID165074440
Molecular FormulaC151H92N17OP
Molecular Weight2191.49 g/mol
Exact Mass2189.74
IUPAC Name7-[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
SMILES[C-]#[N+]c1cc2c(-c3cccc(-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc4)c3)nc3ccccc3c2c2nc(-c3ccccc3)c(-c3ccccc3)nc12.[C-]#[N+]c1cc2c(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nc3ccccc3c2c2nc(-c3ccccc3)c(-c3ccccc3)nc12.[C-]#[N+]c1cc2c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc3ccccc3c2c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C52H33N4OP.C50H30N6.C49H29N7/c1-53-46-34-44-47(52-51(46)55-49(36-17-6-2-7-18-36)50(56-52)37-19-8-3-9-20-37)43-27-14-15-28-45(43)54-48(44)39-22-16-21-38(33-39)35-29-31-42(32-30-35)58(57,40-23-10-4-11-24-40)41-25-12-5-13-26-41;1-51-43-30-39-44(49-48(43)55-45(33-20-8-3-9-21-33)46(56-49)34-22-10-4-11-23-34)38-28-16-17-29-40(38)52-47(39)37-27-15-14-26-36(37)42-31-41(32-18-6-2-7-19-32)53-50(54-42)35-24-12-5-13-25-35;1-50-40-30-38-41(46-45(40)52-42(31-18-6-2-7-19-31)43(53-46)32-20-8-3-9-21-32)37-28-16-17-29-39(37)51-44(38)35-26-14-15-27-36(35)49-55-47(33-22-10-4-11-23-33)54-48(56-49)34-24-12-5-13-25-34/h2-34H;2-31H;2-30H
InChIKeyUBLIRRLTOQRKPU-UHFFFAOYSA-N
XLogP36.93
TPSA210.61 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002191.49
LogP ≤ 536.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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 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 with MolForge

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Related Compounds

7-[2-(4-diphenylphosphorylphenyl)phenyl]-5-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine
CID 164767600
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-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine
CID 164767619
7-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine
CID 164767615
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
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
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
4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-2H-imidazo[4,5-k]phenanthridine
CID 176877042
4-[5-isocyano-3-(4-isocyanophenyl)-7-phenylpyrazino[2,3-k]phenanthridin-2-yl]benzonitrile
CID 164767765
2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 162069098

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1cc2c(-c3cccc(-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc4)c3)nc3ccccc3c2c2nc(-c3ccccc3)c(-c3ccccc3)nc12.[C-]#[N+]c1cc2c(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nc3ccccc3c2c2nc(-c3ccccc3)c(-c3ccccc3)nc12.[C-]#[N+]c1cc2c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc3ccccc3c2c2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 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?
The InChIKey is UBLIRRLTOQRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N4OP.C50H30N6.C49H29N7/c1-53-46-34-44-47(52-51(46)55-49(36-17-6-2-7-18-36)50(56-52)37-19-8-3-9-20-37)43-27-14-15-28-45(43)54-48(44)39-22-16-21-38(33-39)35-29-31-42(32-30-35)58(57,40-23-10-4-11-24-40)41-25-12-5-13-26-41;1-51-43-30-39-44(49-48(43)55-45(33-20-8-3-9-21-33)46(56-49)34-22-10-4-11-23-34)38-28-16-17-29-40(38)52-47(39)37-27-15-14-26-36(37)42-31-41(32-18-6-2-7-19-32)53-50(54-42)35-24-12-5-13-25-35;1-50-40-30-38-41(46-45(40)52-42(31-18-6-2-7-19-31)43(53-46)32-20-8-3-9-21-32)37-28-16-17-29-39(37)51-44(38)35-26-14-15-27-36(35)49-55-47(33-22-10-4-11-23-33)54-48(56-49)34-24-12-5-13-25-34/h2-34H;2-31H;2-30H.
What are the key properties of 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?
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 has a molecular weight of 2191.49 g/mol, XLogP of 36.93, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165074440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).