2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine

C122H81N12OPS — CID 165010886

IUPAC2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3cnc4cc(-c5ccccc5)ccc4n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5c(nc4-c4ccccc4)sc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C43H29N3.C42H29N4OP.C37H23N5S/c1-5-13-30(14-6-1)34-21-22-39-42(26-34)44-29-43(45-39)38-24-35(31-15-7-2-8-16-31)23-37(25-38)41-28-36(32-17-9-3-10-18-32)27-40(46-41)33-19-11-4-12-20-33;47-48(36-16-3-1-4-17-36,37-18-5-2-6-19-37)38-25-23-31(24-26-38)40-44-41(34-15-11-14-33(29-34)39-20-9-10-27-43-39)46-42(45-40)35-22-21-30-12-7-8-13-32(30)28-35;1-4-12-24(13-5-1)32-31(38-33-29-18-10-11-19-30(29)43-37(33)39-32)25-20-22-28(23-21-25)36-41-34(26-14-6-2-7-15-26)40-35(42-36)27-16-8-3-9-17-27/h1-29H;1-29H;1-23H
InChIKeyJRKVIFNUALZORR-UHFFFAOYSA-N
MW1794.11 g/mol
LogP29.12
Rot. Bonds18

About 2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine

2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 165010886) has the molecular formula C122H81N12OPS and a molecular weight of 1794.11 g/mol. Its IUPAC name is 2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine
PubChem CID165010886
Molecular FormulaC122H81N12OPS
Molecular Weight1794.11 g/mol
Exact Mass1792.61
IUPAC Name2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3cnc4cc(-c5ccccc5)ccc4n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5c(nc4-c4ccccc4)sc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C43H29N3.C42H29N4OP.C37H23N5S/c1-5-13-30(14-6-1)34-21-22-39-42(26-34)44-29-43(45-39)38-24-35(31-15-7-2-8-16-31)23-37(25-38)41-28-36(32-17-9-3-10-18-32)27-40(46-41)33-19-11-4-12-20-33;47-48(36-16-3-1-4-17-36,37-18-5-2-6-19-37)38-25-23-31(24-26-38)40-44-41(34-15-11-14-33(29-34)39-20-9-10-27-43-39)46-42(45-40)35-22-21-30-12-7-8-13-32(30)28-35;1-4-12-24(13-5-1)32-31(38-33-29-18-10-11-19-30(29)43-37(33)39-32)25-20-22-28(23-21-25)36-41-34(26-14-6-2-7-15-26)40-35(42-36)27-16-8-3-9-17-27/h1-29H;1-29H;1-23H
InChIKeyJRKVIFNUALZORR-UHFFFAOYSA-N
XLogP29.12
TPSA171.75 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001794.11
LogP ≤ 529.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine with MolForge

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Related Compounds

11-[4-(3-diphenylphosphorylphenyl)phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 158573910
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 171582614
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 171583138
11-[4-(3-diphenylphosphorylphenyl)phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 158930325
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 122543044
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130263179
2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 163614992
8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline
CID 165102432
2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine
CID 159041263
9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]quinoxaline
CID 152932695
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130210532
4-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171583317

Frequently Asked Questions

What is the IUPAC name of 2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine (CID 165010886) is 2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3cnc4cc(-c5ccccc5)ccc4n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5c(nc4-c4ccccc4)sc4ccccc45)cc3)n2)cc1.
What is the InChIKey of 2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is JRKVIFNUALZORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3.C42H29N4OP.C37H23N5S/c1-5-13-30(14-6-1)34-21-22-39-42(26-34)44-29-43(45-39)38-24-35(31-15-7-2-8-16-31)23-37(25-38)41-28-36(32-17-9-3-10-18-32)27-40(46-41)33-19-11-4-12-20-33;47-48(36-16-3-1-4-17-36,37-18-5-2-6-19-37)38-25-23-31(24-26-38)40-44-41(34-15-11-14-33(29-34)39-20-9-10-27-43-39)46-42(45-40)35-22-21-30-12-7-8-13-32(30)28-35;1-4-12-24(13-5-1)32-31(38-33-29-18-10-11-19-30(29)43-37(33)39-32)25-20-22-28(23-21-25)36-41-34(26-14-6-2-7-15-26)40-35(42-36)27-16-8-3-9-17-27/h1-29H;1-29H;1-23H.
What are the key properties of 2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine?
2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 1794.11 g/mol, XLogP of 29.12, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diphenylphosphorylphenyl)-4-naphthalen-2-yl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-2-pyridinyl)-5-phenylphenyl]-6-phenylquinoxaline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 165010886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).