14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

C158H92N10O3S3 — CID 160718782

About 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (PubChem CID 160718782) has the molecular formula C158H92N10O3S3 and a molecular weight of 2274.74 g/mol. Its IUPAC name is 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• PubChem CID: 160718782
• Molecular Formula: C158H92N10O3S3
• Molecular Weight: 2274.74 g/mol
• Exact Mass: 2272.65
• IUPAC Name: 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc(-c3cc(-c4cc5c(-c6ccc7oc8ccccc8c7c6)nc6ccccc6c5c5c4sc4ccccc45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6c(-c7ccc8oc9ccccc9c8c7)nc7ccccc7c6c6c5sc5ccccc56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(-c5ccc6oc7ccccc7c6c5)nc5ccccc5c4c4c3sc3ccccc34)n2)cc1
• InChI: InChI=1S/C59H35N3OS.C53H31N3OS.C46H26N4OS/c1-3-13-36(14-4-1)37-23-27-39(28-24-37)50-35-51(62-59(61-50)41-15-5-2-6-16-41)40-29-25-38(26-30-40)46-34-48-55(56-45-19-9-12-22-54(45)64-58(46)56)44-18-7-10-20-49(44)60-57(48)42-31-32-53-47(33-42)43-17-8-11-21-52(43)63-53;1-3-13-32(14-4-1)33-23-25-34(26-24-33)44-31-45(56-53(55-44)35-15-5-2-6-16-35)41-30-42-49(50-39-19-9-12-22-48(39)58-52(41)50)38-18-7-10-20-43(38)54-51(42)36-27-28-47-40(29-36)37-17-8-11-21-46(37)57-47;1-3-13-27(14-4-1)44-48-45(28-15-5-2-6-16-28)50-46(49-44)35-26-34-40(41-32-19-9-12-22-39(32)52-43(35)41)31-18-7-10-20-36(31)47-42(34)29-23-24-38-33(25-29)30-17-8-11-21-37(30)51-38/h1-35H;1-31H;1-26H
• InChIKey: RSUZPOPQHLKDRP-UHFFFAOYSA-N
• XLogP: 43.74
• TPSA: 168.32 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2274.74
LogP ≤ 5	43.74
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 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The IUPAC name of 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (CID 160718782) is 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

What is the SMILES notation for 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The canonical SMILES for 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is c1ccc(-c2ccc(-c3cc(-c4cc5c(-c6ccc7oc8ccccc8c7c6)nc6ccccc6c5c5c4sc4ccccc45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6c(-c7ccc8oc9ccccc9c8c7)nc7ccccc7c6c6c5sc5ccccc56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(-c5ccc6oc7ccccc7c6c5)nc5ccccc5c4c4c3sc3ccccc34)n2)cc1.

What is the InChIKey of 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The InChIKey is RSUZPOPQHLKDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3OS.C53H31N3OS.C46H26N4OS/c1-3-13-36(14-4-1)37-23-27-39(28-24-37)50-35-51(62-59(61-50)41-15-5-2-6-16-41)40-29-25-38(26-30-40)46-34-48-55(56-45-19-9-12-22-54(45)64-58(46)56)44-18-7-10-20-49(44)60-57(48)42-31-32-53-47(33-42)43-17-8-11-21-52(43)63-53;1-3-13-32(14-4-1)33-23-25-34(26-24-33)44-31-45(56-53(55-44)35-15-5-2-6-16-35)41-30-42-49(50-39-19-9-12-22-48(39)58-52(41)50)38-18-7-10-20-43(38)54-51(42)36-27-28-47-40(29-36)37-17-8-11-21-46(37)57-47;1-3-13-27(14-4-1)44-48-45(28-15-5-2-6-16-28)50-46(49-44)35-26-34-40(41-32-19-9-12-22-39(32)52-43(35)41)31-18-7-10-20-36(31)47-42(34)29-23-24-38-33(25-29)30-17-8-11-21-37(30)51-38/h1-35H;1-31H;1-26H.

What are the key properties of 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene has a molecular weight of 2274.74 g/mol, XLogP of 43.74, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 14-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-dibenzofuran-2-yl-11-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is sourced from PubChem (CID 160718782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).