12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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

C84H54N10 — CID 167665612

About 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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

12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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 (PubChem CID 167665612) has the molecular formula C84H54N10 and a molecular weight of 1229.58 g/mol. Its IUPAC name is 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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.

Molecular Properties

• Compound Name: 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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
• PubChem CID: 167665612
• Molecular Formula: C84H54N10
• Molecular Weight: 1229.58 g/mol
• Exact Mass: 1228.62
• IUPAC Name: 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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
• SMILES: [2H]c1cc([2H])c2c(c1)c1c(c([2H])cc3c4cc([2H])cc([2H])c4n(-c4nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])n4)c31)n2-c1ccccc1.[2H]c1cc([2H])c2c(c1)c1c3c4cc([2H])cc([2H])c4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c5)n4)c3c([2H])c([2H])c1n2-c1ccccc1
• InChI: InChI=1S/C45H29N5.C39H25N5/c1-4-15-30(16-5-1)32-19-14-20-33(29-32)44-46-43(31-17-6-2-7-18-31)47-45(48-44)50-38-26-13-11-24-36(38)42-40(50)28-27-39-41(42)35-23-10-12-25-37(35)49(39)34-21-8-3-9-22-34;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28/h1-29H;1-25H/i1D,4D,5D,10D,11D,15D,16D,25D,26D,27D,28D;1D,2D,4D,5D,6D,7D,10D,11D,14D,15D,16D,17D,22D,23D,25D
• InChIKey: SPBMZPRTKZWVRO-IZSGIRRRSA-N
• XLogP: 20.47
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.58
LogP ≤ 5	20.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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?

The IUPAC name of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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 (CID 167665612) is 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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.

What is the SMILES notation for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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?

The canonical SMILES for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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 is [2H]c1cc([2H])c2c(c1)c1c(c([2H])cc3c4cc([2H])cc([2H])c4n(-c4nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])n4)c31)n2-c1ccccc1.[2H]c1cc([2H])c2c(c1)c1c3c4cc([2H])cc([2H])c4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c5)n4)c3c([2H])c([2H])c1n2-c1ccccc1.

What is the InChIKey of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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?

The InChIKey is SPBMZPRTKZWVRO-IZSGIRRRSA-N. The full InChI is InChI=1S/C45H29N5.C39H25N5/c1-4-15-30(16-5-1)32-19-14-20-33(29-32)44-46-43(31-17-6-2-7-18-31)47-45(48-44)50-38-26-13-11-24-36(38)42-40(50)28-27-39-41(42)35-23-10-12-25-37(35)49(39)34-21-8-3-9-22-34;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28/h1-29H;1-25H/i1D,4D,5D,10D,11D,15D,16D,25D,26D,27D,28D;1D,2D,4D,5D,6D,7D,10D,11D,14D,15D,16D,17D,22D,23D,25D.

What are the key properties of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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?

12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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 has a molecular weight of 1229.58 g/mol, XLogP of 20.47, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,6,9,11-pentadeuterio-5-phenylindolo[3,2-c]carbazole;5,7,11,12,16,18-hexadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-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 is sourced from PubChem (CID 167665612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).