6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline

C144H86N12O2S — CID 157174786

IUPAC6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6oc54)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cccc4c3nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5oc43)cc(-c3ccccn3)n2)nc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)c2c4ccccc4sc32)cc1
InChIInChI=1S/C54H32N4O.C48H28N4O.C42H26N4S/c1-2-14-40-38(12-1)39-13-3-4-15-41(39)45-30-35(26-27-42(40)45)52-51-43-16-5-6-21-50(43)59-54(51)44-18-11-17-37(53(44)58-52)34-24-22-33(23-25-34)36-31-48(46-19-7-9-28-55-46)57-49(32-36)47-20-8-10-29-56-47;1-2-14-34-32(12-1)33-13-3-4-15-35(33)39-26-29(22-23-36(34)39)46-45-37-16-5-6-21-44(37)53-48(45)38-18-11-17-31(47(38)52-46)30-27-42(40-19-7-9-24-49-40)51-43(28-30)41-20-8-10-25-50-41;1-4-12-27(13-5-1)32-24-25-33-35(26-32)43-38(37-34-18-10-11-19-36(34)47-39(33)37)28-20-22-31(23-21-28)42-45-40(29-14-6-2-7-15-29)44-41(46-42)30-16-8-3-9-17-30/h1-32H;1-28H;1-26H
InChIKeyANWPEULHZZHNIF-UHFFFAOYSA-N
MW2048.42 g/mol
LogP37.68
Rot. Bonds14

About 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline (PubChem CID 157174786) has the molecular formula C144H86N12O2S and a molecular weight of 2048.42 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
PubChem CID157174786
Molecular FormulaC144H86N12O2S
Molecular Weight2048.42 g/mol
Exact Mass2046.67
IUPAC Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6oc54)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cccc4c3nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5oc43)cc(-c3ccccn3)n2)nc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)c2c4ccccc4sc32)cc1
InChIInChI=1S/C54H32N4O.C48H28N4O.C42H26N4S/c1-2-14-40-38(12-1)39-13-3-4-15-41(39)45-30-35(26-27-42(40)45)52-51-43-16-5-6-21-50(43)59-54(51)44-18-11-17-37(53(44)58-52)34-24-22-33(23-25-34)36-31-48(46-19-7-9-28-55-46)57-49(32-36)47-20-8-10-29-56-47;1-2-14-34-32(12-1)33-13-3-4-15-35(33)39-26-29(22-23-36(34)39)46-45-37-16-5-6-21-44(37)53-48(45)38-18-11-17-31(47(38)52-46)30-27-42(40-19-7-9-24-49-40)51-43(28-30)41-20-8-10-25-50-41;1-4-12-27(13-5-1)32-24-25-33-35(26-32)43-38(37-34-18-10-11-19-36(34)47-39(33)37)28-20-22-31(23-21-28)42-45-40(29-14-6-2-7-15-29)44-41(46-42)30-16-8-3-9-17-30/h1-32H;1-28H;1-26H
InChIKeyANWPEULHZZHNIF-UHFFFAOYSA-N
XLogP37.68
TPSA180.96 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002048.42
LogP ≤ 537.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline (CID 157174786) is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4cccc5c4nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6oc54)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cccc4c3nc(-c3ccc5c6ccccc6c6ccccc6c5c3)c3c5ccccc5oc43)cc(-c3ccccn3)n2)nc1.c1ccc(-c2ccc3c(c2)nc(-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2)c2c4ccccc4sc32)cc1.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is ANWPEULHZZHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O.C48H28N4O.C42H26N4S/c1-2-14-40-38(12-1)39-13-3-4-15-41(39)45-30-35(26-27-42(40)45)52-51-43-16-5-6-21-50(43)59-54(51)44-18-11-17-37(53(44)58-52)34-24-22-33(23-25-34)36-31-48(46-19-7-9-28-55-46)57-49(32-36)47-20-8-10-29-56-47;1-2-14-34-32(12-1)33-13-3-4-15-35(33)39-26-29(22-23-36(34)39)46-45-37-16-5-6-21-44(37)53-48(45)38-18-11-17-31(47(38)52-46)30-27-42(40-19-7-9-24-49-40)51-43(28-30)41-20-8-10-25-50-41;1-4-12-27(13-5-1)32-24-25-33-35(26-32)43-38(37-34-18-10-11-19-36(34)47-39(33)37)28-20-22-31(23-21-28)42-45-40(29-14-6-2-7-15-29)44-41(46-42)30-16-8-3-9-17-30/h1-32H;1-28H;1-26H.
What are the key properties of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline?
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline has a molecular weight of 2048.42 g/mol, XLogP of 37.68, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline;4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 157174786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).