9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole

C180H116N20 — CID 167586338

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole (PubChem CID 167586338) has the molecular formula C180H116N20 and a molecular weight of 2579.17 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole
• PubChem CID: 167586338
• Molecular Formula: C180H116N20
• Molecular Weight: 2579.17 g/mol
• Exact Mass: 2577.09
• IUPAC Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5ccc43)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5ccc43)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccccc2-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4ccc32)c([2H])c1[2H]
• InChI: InChI=1S/4C45H29N5/c1-4-16-30(17-5-1)33-22-10-13-25-36(33)49-37-26-14-11-23-34(37)41-39(49)28-29-40-42(41)35-24-12-15-27-38(35)50(40)45-47-43(31-18-6-2-7-19-31)46-44(48-45)32-20-8-3-9-21-32;1-4-15-30(16-5-1)33-21-14-22-34(29-33)49-37-25-12-10-23-35(37)41-39(49)27-28-40-42(41)36-24-11-13-26-38(36)50(40)45-47-43(31-17-6-2-7-18-31)46-44(48-45)32-19-8-3-9-20-32;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-38-22-12-10-20-35(38)36-28-29-40-41(42(36)49)37-21-11-13-23-39(37)50(40)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-37-22-12-10-20-35(37)41-39(49)28-29-40-42(41)36-21-11-13-23-38(36)50(40)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33/h4*1-29H/i1D,4D,5D,16D,17D;1D,4D,5D,15D,16D;2*1D,4D,5D,14D,15D
• InChIKey: HVVFYBGZWPDDEO-BKCATWKYSA-N
• XLogP: 44.27
• TPSA: 194.12 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2579.17
LogP ≤ 5	44.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole (CID 167586338) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5ccc43)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5ccc43)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccccc2-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4ccc32)c([2H])c1[2H].

What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?

The InChIKey is HVVFYBGZWPDDEO-BKCATWKYSA-N. The full InChI is InChI=1S/4C45H29N5/c1-4-16-30(17-5-1)33-22-10-13-25-36(33)49-37-26-14-11-23-34(37)41-39(49)28-29-40-42(41)35-24-12-15-27-38(35)50(40)45-47-43(31-18-6-2-7-19-31)46-44(48-45)32-20-8-3-9-21-32;1-4-15-30(16-5-1)33-21-14-22-34(29-33)49-37-25-12-10-23-35(37)41-39(49)27-28-40-42(41)36-24-11-13-26-38(36)50(40)45-47-43(31-17-6-2-7-18-31)46-44(48-45)32-19-8-3-9-20-32;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-38-22-12-10-20-35(38)36-28-29-40-41(42(36)49)37-21-11-13-23-39(37)50(40)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-37-22-12-10-20-35(37)41-39(49)28-29-40-42(41)36-21-11-13-23-38(36)50(40)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33/h4*1-29H/i1D,4D,5D,16D,17D;1D,4D,5D,15D,16D;2*1D,4D,5D,14D,15D.

What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 2579.17 g/mol, XLogP of 44.27, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 167586338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).