10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C120H72F18N18 — CID 159139936

About 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 159139936) has the molecular formula C120H72F18N18 and a molecular weight of 2107.99 g/mol. Its IUPAC name is 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• PubChem CID: 159139936
• Molecular Formula: C120H72F18N18
• Molecular Weight: 2107.99 g/mol
• Exact Mass: 2106.59
• IUPAC Name: 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• SMILES: CC1(C)c2ccccc2-n2c3ccc(-c4nc(C(F)(F)F)nc(C(F)(F)F)n4)cc3c3cccc1c32.CC1(C)c2ccccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc1c32.CC1(C)c2ccccc2-n2c3ccncc3c3cc(-c4nc(F)nc(F)n4)cc1c32.CC1(C)c2ccccc2-n2c3ncccc3c3cc(-c4nc(-c5c(F)c(F)c(F)c(F)c5F)nc(-c5c(F)c(F)c(F)c(F)c5F)n4)cc1c32
• InChI: InChI=1S/C36H26N4.C35H15F10N5.C26H16F6N4.C23H15F2N5/c1-36(2)28-18-10-12-20-31(28)40-30-19-11-9-17-26(30)27-21-25(22-29(36)32(27)40)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24;1-35(2)15-7-3-4-8-17(15)50-30-14(13-6-5-9-46-34(13)50)10-12(11-16(30)35)31-47-32(18-20(36)24(40)28(44)25(41)21(18)37)49-33(48-31)19-22(38)26(42)29(45)27(43)23(19)39;1-24(2)16-7-3-4-9-19(16)36-18-11-10-13(12-15(18)14-6-5-8-17(24)20(14)36)21-33-22(25(27,28)29)35-23(34-21)26(30,31)32;1-23(2)15-5-3-4-6-18(15)30-17-7-8-26-11-14(17)13-9-12(10-16(23)19(13)30)20-27-21(24)29-22(25)28-20/h3-22H,1-2H3;3-11H,1-2H3;3-12H,1-2H3;3-11H,1-2H3
• InChIKey: KHYWCSXZHQITEM-UHFFFAOYSA-N
• XLogP: 30.26
• TPSA: 200.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2107.99
LogP ≤ 5	30.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The IUPAC name of 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 159139936) is 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

What is the SMILES notation for 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The canonical SMILES for 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is CC1(C)c2ccccc2-n2c3ccc(-c4nc(C(F)(F)F)nc(C(F)(F)F)n4)cc3c3cccc1c32.CC1(C)c2ccccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc1c32.CC1(C)c2ccccc2-n2c3ccncc3c3cc(-c4nc(F)nc(F)n4)cc1c32.CC1(C)c2ccccc2-n2c3ncccc3c3cc(-c4nc(-c5c(F)c(F)c(F)c(F)c5F)nc(-c5c(F)c(F)c(F)c(F)c5F)n4)cc1c32.

What is the InChIKey of 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The InChIKey is KHYWCSXZHQITEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4.C35H15F10N5.C26H16F6N4.C23H15F2N5/c1-36(2)28-18-10-12-20-31(28)40-30-19-11-9-17-26(30)27-21-25(22-29(36)32(27)40)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24;1-35(2)15-7-3-4-8-17(15)50-30-14(13-6-5-9-46-34(13)50)10-12(11-16(30)35)31-47-32(18-20(36)24(40)28(44)25(41)21(18)37)49-33(48-31)19-22(38)26(42)29(45)27(43)23(19)39;1-24(2)16-7-3-4-9-19(16)36-18-11-10-13(12-15(18)14-6-5-8-17(24)20(14)36)21-33-22(25(27,28)29)35-23(34-21)26(30,31)32;1-23(2)15-5-3-4-6-18(15)30-17-7-8-26-11-14(17)13-9-12(10-16(23)19(13)30)20-27-21(24)29-22(25)28-20/h3-22H,1-2H3;3-11H,1-2H3;3-12H,1-2H3;3-11H,1-2H3.

What are the key properties of 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 2107.99 g/mol, XLogP of 30.26, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 159139936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).