5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole

C146H88N14O — CID 159135063

About 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole

5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole (PubChem CID 159135063) has the molecular formula C146H88N14O and a molecular weight of 2054.41 g/mol. Its IUPAC name is 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole
• PubChem CID: 159135063
• Molecular Formula: C146H88N14O
• Molecular Weight: 2054.41 g/mol
• Exact Mass: 2052.73
• IUPAC Name: 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c7ccccc7c7ccccc7c6c5)c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c7ccccc7c7ccccc7c6c5)c43)nc3ccccc23)cc1
• InChI: InChI=1S/C51H31N5.C50H30N4.C45H27N5O/c1-3-15-32(16-4-1)49-52-50(33-17-5-2-6-18-33)54-51(53-49)56-44-25-13-11-23-40(44)41-29-30-46-47(48(41)56)42-24-12-14-26-45(42)55(46)34-27-28-39-37-21-8-7-19-35(37)36-20-9-10-22-38(36)43(39)31-34;1-2-14-31(15-3-1)48-40-21-8-11-23-43(40)51-50(52-48)54-44-24-12-9-20-38(44)39-28-29-46-47(49(39)54)41-22-10-13-25-45(41)53(46)32-26-27-37-35-18-5-4-16-33(35)34-17-6-7-19-36(34)42(37)30-32;1-3-13-28(14-4-1)43-46-44(29-23-24-33-32-18-9-12-22-39(32)51-40(33)27-29)48-45(47-43)50-37-21-11-8-19-35(37)41-38(50)26-25-34-31-17-7-10-20-36(31)49(42(34)41)30-15-5-2-6-16-30/h1-31H;1-30H;1-27H
• InChIKey: KHJQKERQJUTLJX-UHFFFAOYSA-N
• XLogP: 37.11
• TPSA: 145.84 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2054.41
LogP ≤ 5	37.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole?

The IUPAC name of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole (CID 159135063) is 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole.

What is the SMILES notation for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole?

The canonical SMILES for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c7ccccc7c7ccccc7c6c5)c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c7ccccc7c7ccccc7c6c5)c43)nc3ccccc23)cc1.

What is the InChIKey of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole?

The InChIKey is KHJQKERQJUTLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5.C50H30N4.C45H27N5O/c1-3-15-32(16-4-1)49-52-50(33-17-5-2-6-18-33)54-51(53-49)56-44-25-13-11-23-40(44)41-29-30-46-47(48(41)56)42-24-12-14-26-45(42)55(46)34-27-28-39-37-21-8-7-19-35(37)36-20-9-10-22-38(36)43(39)31-34;1-2-14-31(15-3-1)48-40-21-8-11-23-43(40)51-50(52-48)54-44-24-12-9-20-38(44)39-28-29-46-47(49(39)54)41-22-10-13-25-45(41)53(46)32-26-27-37-35-18-5-4-16-33(35)34-17-6-7-19-36(34)42(37)30-32;1-3-13-28(14-4-1)43-46-44(29-23-24-33-32-18-9-12-22-39(32)51-40(33)27-29)48-45(47-43)50-37-21-11-8-19-35(37)41-38(50)26-25-34-31-17-7-10-20-36(31)49(42(34)41)30-15-5-2-6-16-30/h1-31H;1-30H;1-27H.

What are the key properties of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole?

5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole has a molecular weight of 2054.41 g/mol, XLogP of 37.11, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole;12-(4-phenylquinazolin-2-yl)-5-triphenylen-2-ylindolo[3,2-c]carbazole is sourced from PubChem (CID 159135063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).