6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C139H97N15S — CID 162146233

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 162146233) has the molecular formula C139H97N15S and a molecular weight of 2009.48 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 162146233
• Molecular Formula: C139H97N15S
• Molecular Weight: 2009.48 g/mol
• Exact Mass: 2007.78
• IUPAC Name: 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: CC1(C)c2ccccc2N(c2ccccc2)c2cc3c4c5ccccc5ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4n(-c4ccccc4)c3cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)Sc4ccccc4N6c4ccccc4)cc3)n2)cc1
• InChI: InChI=1S/C48H35N5.C46H33N5.C45H29N5S/c1-48(2)39-25-15-16-26-42(39)53(36-23-13-6-14-24-36)44-30-38-37-29-34(27-28-41(37)52(43(38)31-40(44)48)35-21-11-5-12-22-35)47-50-45(32-17-7-3-8-18-32)49-46(51-47)33-19-9-4-10-20-33;1-46(2)36-24-14-15-25-38(36)50(33-21-10-5-11-22-33)41-28-35-40(29-37(41)46)51(39-27-26-30-16-12-13-23-34(30)42(35)39)45-48-43(31-17-6-3-7-18-31)47-44(49-45)32-19-8-4-9-20-32;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)49-37-21-11-10-20-35(37)36-28-40-42(29-39(36)49)51-41-23-13-12-22-38(41)50(40)33-18-8-3-9-19-33/h3-31H,1-2H3;3-29H,1-2H3;1-29H
• InChIKey: ZKOZVSZRTZCOGP-UHFFFAOYSA-N
• XLogP: 35.55
• TPSA: 140.52 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.48
LogP ≤ 5	35.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 162146233) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC1(C)c2ccccc2N(c2ccccc2)c2cc3c4c5ccccc5ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4n(-c4ccccc4)c3cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)Sc4ccccc4N6c4ccccc4)cc3)n2)cc1.

What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is ZKOZVSZRTZCOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N5.C46H33N5.C45H29N5S/c1-48(2)39-25-15-16-26-42(39)53(36-23-13-6-14-24-36)44-30-38-37-29-34(27-28-41(37)52(43(38)31-40(44)48)35-21-11-5-12-22-35)47-50-45(32-17-7-3-8-18-32)49-46(51-47)33-19-9-4-10-20-33;1-46(2)36-24-14-15-25-38(36)50(33-21-10-5-11-22-33)41-28-35-40(29-37(41)46)51(39-27-26-30-16-12-13-23-34(30)42(35)39)45-48-43(31-17-6-3-7-18-31)47-44(49-45)32-19-8-4-9-20-32;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-26-34(27-25-32)49-37-21-11-10-20-35(37)36-28-40-42(29-39(36)49)51-41-23-13-12-22-38(41)50(40)33-18-8-3-9-19-33/h3-31H,1-2H3;3-29H,1-2H3;1-29H.

What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 2009.48 g/mol, XLogP of 35.55, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 162146233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).