10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene

C152H91N15OS — CID 157082431

About 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene

10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene (PubChem CID 157082431) has the molecular formula C152H91N15OS and a molecular weight of 2175.57 g/mol. Its IUPAC name is 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene.

Molecular Properties

• Compound Name: 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene
• PubChem CID: 157082431
• Molecular Formula: C152H91N15OS
• Molecular Weight: 2175.57 g/mol
• Exact Mass: 2173.73
• IUPAC Name: 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)ccc2c2c3nc3ccccn32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)cc4)ccc2c2c3nc3ccccn32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccc6sc7ccccc7c6c5)n4)ccc2c2c3nc3ccccn32)cc1
• InChI: InChI=1S/C54H33N5.C52H31N5O.C46H27N5S/c1-2-10-34(11-3-1)41-25-27-45-47(32-41)48-33-42(26-28-46(48)51-50(45)55-49-16-8-9-29-59(49)51)37-17-21-38(22-18-37)52-56-53(43-23-19-35-12-4-6-14-39(35)30-43)58-54(57-52)44-24-20-36-13-5-7-15-40(36)31-44;1-3-11-32(12-4-1)36-22-25-40-42(29-36)43-30-37(23-26-41(43)49-48(40)53-47-17-9-10-28-57(47)49)33-18-20-35(21-19-33)51-54-50(34-13-5-2-6-14-34)55-52(56-51)38-24-27-46-44(31-38)39-15-7-8-16-45(39)58-46;1-3-11-28(12-4-1)30-18-21-34-36(25-30)37-26-31(19-22-35(37)43-42(34)47-41-17-9-10-24-51(41)43)45-48-44(29-13-5-2-6-14-29)49-46(50-45)32-20-23-40-38(27-32)33-15-7-8-16-39(33)52-40/h1-33H;1-31H;1-27H
• InChIKey: ADRZKYYZNSOXIT-UHFFFAOYSA-N
• XLogP: 38.85
• TPSA: 181.05 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2175.57
LogP ≤ 5	38.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene?

The IUPAC name of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene (CID 157082431) is 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene.

What is the SMILES notation for 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene?

The canonical SMILES for 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)ccc2c2c3nc3ccccn32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)cc4)ccc2c2c3nc3ccccn32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccc6sc7ccccc7c6c5)n4)ccc2c2c3nc3ccccn32)cc1.

What is the InChIKey of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene?

The InChIKey is ADRZKYYZNSOXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5.C52H31N5O.C46H27N5S/c1-2-10-34(11-3-1)41-25-27-45-47(32-41)48-33-42(26-28-46(48)51-50(45)55-49-16-8-9-29-59(49)51)37-17-21-38(22-18-37)52-56-53(43-23-19-35-12-4-6-14-39(35)30-43)58-54(57-52)44-24-20-36-13-5-7-15-40(36)31-44;1-3-11-32(12-4-1)36-22-25-40-42(29-36)43-30-37(23-26-41(43)49-48(40)53-47-17-9-10-28-57(47)49)33-18-20-35(21-19-33)51-54-50(34-13-5-2-6-14-34)55-52(56-51)38-24-27-46-44(31-38)39-15-7-8-16-45(39)58-46;1-3-11-28(12-4-1)30-18-21-34-36(25-30)37-26-31(19-22-35(37)43-42(34)47-41-17-9-10-24-51(41)43)45-48-44(29-13-5-2-6-14-29)49-46(50-45)32-20-23-40-38(27-32)33-15-7-8-16-39(33)52-40/h1-33H;1-31H;1-27H.

What are the key properties of 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene?

10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene has a molecular weight of 2175.57 g/mol, XLogP of 38.85, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,16,18,20-decaene is sourced from PubChem (CID 157082431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).