2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine

C192H116N12OS3 — CID 165045485

About 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine (PubChem CID 165045485) has the molecular formula C192H116N12OS3 and a molecular weight of 2703.32 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine
• PubChem CID: 165045485
• Molecular Formula: C192H116N12OS3
• Molecular Weight: 2703.32 g/mol
• Exact Mass: 2700.86
• IUPAC Name: 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(C3(c4ccccc4)c4ccc5ccccc5c4-c4c3ccc3ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(C3(c4ccccc4)c4ccc5ccccc5c4-c4c3ccc3ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(C3(c4ccccc4)c4ccccc4-c4c3c3ccccc3c3ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(C3(c4ccccc4)c4ccccc4-c4c3c3ccccc3c3ccccc43)n2)cc1
• InChI: InChI=1S/C48H29N3O.3C48H29N3S/c1-3-16-30(17-4-1)45-49-46(39-27-15-26-37-34-22-12-14-29-41(34)52-44(37)39)51-47(50-45)48(31-18-5-2-6-19-31)40-28-13-11-25-38(40)42-35-23-9-7-20-32(35)33-21-8-10-24-36(33)43(42)48;1-3-16-30(17-4-1)45-49-46(38-26-15-29-41-42(38)37-25-12-14-28-40(37)52-41)51-47(50-45)48(31-18-5-2-6-19-31)39-27-13-11-24-36(39)43-34-22-9-7-20-32(34)33-21-8-10-23-35(33)44(43)48;1-3-15-32(16-4-1)45-49-46(33-23-26-38-37-21-11-12-22-41(37)52-42(38)29-33)51-47(50-45)48(34-17-5-2-6-18-34)39-27-24-30-13-7-9-19-35(30)43(39)44-36-20-10-8-14-31(36)25-28-40(44)48;1-3-15-32(16-4-1)45-49-46(33-25-28-42-38(29-33)37-21-11-12-22-41(37)52-42)51-47(50-45)48(34-17-5-2-6-18-34)39-26-23-30-13-7-9-19-35(30)43(39)44-36-20-10-8-14-31(36)24-27-40(44)48/h4*1-29H
• InChIKey: OVEWRYCCKPFWKY-UHFFFAOYSA-N
• XLogP: 48.50
• TPSA: 167.82 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2703.32
LogP ≤ 5	48.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine (CID 165045485) is 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(C3(c4ccccc4)c4ccc5ccccc5c4-c4c3ccc3ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(C3(c4ccccc4)c4ccc5ccccc5c4-c4c3ccc3ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(C3(c4ccccc4)c4ccccc4-c4c3c3ccccc3c3ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(C3(c4ccccc4)c4ccccc4-c4c3c3ccccc3c3ccccc43)n2)cc1.

What is the InChIKey of 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine?

The InChIKey is OVEWRYCCKPFWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O.3C48H29N3S/c1-3-16-30(17-4-1)45-49-46(39-27-15-26-37-34-22-12-14-29-41(34)52-44(37)39)51-47(50-45)48(31-18-5-2-6-19-31)40-28-13-11-25-38(40)42-35-23-9-7-20-32(35)33-21-8-10-24-36(33)43(42)48;1-3-16-30(17-4-1)45-49-46(38-26-15-29-41-42(38)37-25-12-14-28-40(37)52-41)51-47(50-45)48(31-18-5-2-6-19-31)39-27-13-11-24-36(39)43-34-22-9-7-20-32(34)33-21-8-10-23-35(33)44(43)48;1-3-15-32(16-4-1)45-49-46(33-23-26-38-37-21-11-12-22-41(37)52-42(38)29-33)51-47(50-45)48(34-17-5-2-6-18-34)39-27-24-30-13-7-9-19-35(30)43(39)44-36-20-10-8-14-31(36)25-28-40(44)48;1-3-15-32(16-4-1)45-49-46(33-25-28-42-38(29-33)37-21-11-12-22-41(37)52-42)51-47(50-45)48(34-17-5-2-6-18-34)39-26-23-30-13-7-9-19-35(30)43(39)44-36-20-10-8-14-31(36)24-27-40(44)48/h4*1-29H.

What are the key properties of 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine?

2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine has a molecular weight of 2703.32 g/mol, XLogP of 48.50, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,5-triazine is sourced from PubChem (CID 165045485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).