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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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

C125H75F18N19 — CID 159557099

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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 159557099) has the molecular formula C125H75F18N19 and a molecular weight of 2185.07 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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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: 159557099
• Molecular Formula: C125H75F18N19
• Molecular Weight: 2185.07 g/mol
• Exact Mass: 2183.62
• 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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)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.CC1(C)c2cccnc2-n2c3ccc(-c4nc(F)nc(F)n4)cc3c3cncc1c32
• InChI: InChI=1S/C42H30N4.C35H15F10N5.C26H16F6N4.C22H14F2N6/c1-42(2)34-18-10-12-20-37(34)46-36-19-11-9-17-32(36)33-25-31(26-35(42)38(33)46)27-21-23-30(24-22-27)41-44-39(28-13-5-3-6-14-28)43-40(45-41)29-15-7-4-8-16-29;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;1-22(2)14-4-3-7-26-19(14)30-16-6-5-11(18-27-20(23)29-21(24)28-18)8-12(16)13-9-25-10-15(22)17(13)30/h3-26H,1-2H3;3-11H,1-2H3;3-12H,1-2H3;3-10H,1-2H3
• InChIKey: MGDCKNBVPPKPMK-UHFFFAOYSA-N
• XLogP: 31.33
• TPSA: 213.07 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2185.07
LogP ≤ 5	31.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 159557099) 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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)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.CC1(C)c2cccnc2-n2c3ccc(-c4nc(F)nc(F)n4)cc3c3cncc1c32.

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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 MGDCKNBVPPKPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4.C35H15F10N5.C26H16F6N4.C22H14F2N6/c1-42(2)34-18-10-12-20-37(34)46-36-19-11-9-17-32(36)33-25-31(26-35(42)38(33)46)27-21-23-30(24-22-27)41-44-39(28-13-5-3-6-14-28)43-40(45-41)29-15-7-4-8-16-29;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;1-22(2)14-4-3-7-26-19(14)30-16-6-5-11(18-27-20(23)29-21(24)28-18)8-12(16)13-9-25-10-15(22)17(13)30/h3-26H,1-2H3;3-11H,1-2H3;3-12H,1-2H3;3-10H,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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 2185.07 g/mol, XLogP of 31.33, 9 rotatable bonds, 0 hydrogen bond donors, and 19 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;5-(4,6-difluoro-1,3,5-triazin-2-yl)-13,13-dimethyl-1,10,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 159557099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).