4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole

C198H126N18O4 — CID 167610498

About 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole

4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 167610498) has the molecular formula C198H126N18O4 and a molecular weight of 2842.44 g/mol. Its IUPAC name is 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole
• PubChem CID: 167610498
• Molecular Formula: C198H126N18O4
• Molecular Weight: 2842.44 g/mol
• Exact Mass: 2840.15
• IUPAC Name: 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c(c([2H])c([2H])c3c1c1c([2H])c([2H])c([2H])c([2H])c1n3-c1cccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c13)C2(C)C.[2H]c1cc([2H])c2c(c1)c1c(ccc3c4cc([2H])cc([2H])c4n(-c4ccccc4)c31)n2-c1cccc2c1oc1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc12.[2H]c1cc([2H])c2c(c1)c1c3c4cc([2H])cc([2H])c4n(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)c3ccc1n2-c1ccccc1.[2H]c1cc2c(oc3c([2H])cc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C6(C)C)cc32)c([2H])c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/2C51H31N5O.2C48H32N4O/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-37-39-23-14-26-44(48(39)57-45(37)31-34)56-42-25-13-11-22-40(42)46-43(56)30-29-38-36-21-10-12-24-41(36)55(47(38)46)35-19-8-3-9-20-35;1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-38-45(31-34)57-44-26-14-25-41(46(38)44)56-40-24-13-11-22-37(40)48-43(56)30-29-42-47(48)36-21-10-12-23-39(36)55(42)35-19-8-3-9-20-35;1-48(2)35-20-11-9-18-32(35)42-36(48)26-27-39-44(42)33-19-10-12-21-37(33)52(39)38-22-13-23-40-43(38)34-25-24-31(28-41(34)53-40)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-48(2)38-19-11-9-17-33(38)35-24-25-40-43(44(35)48)36-18-10-12-20-39(36)52(40)32-22-26-41-37(28-32)34-23-21-31(27-42(34)53-41)47-50-45(29-13-5-3-6-14-29)49-46(51-47)30-15-7-4-8-16-30/h2*1-31H;2*3-28H,1-2H3/i10D,11D,24D,25D;10D,11D,23D,24D;9D,10D,11D,12D,18D,19D,20D,21D,26D,27D;21D,26D,27D
• InChIKey: KYZLQTPCRYIODE-JYTHJKDFSA-N
• XLogP: 50.28
• TPSA: 236.82 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2842.44
LogP ≤ 5	50.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole?

The IUPAC name of 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole (CID 167610498) is 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c(c([2H])c([2H])c3c1c1c([2H])c([2H])c([2H])c([2H])c1n3-c1cccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c13)C2(C)C.[2H]c1cc([2H])c2c(c1)c1c(ccc3c4cc([2H])cc([2H])c4n(-c4ccccc4)c31)n2-c1cccc2c1oc1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc12.[2H]c1cc([2H])c2c(c1)c1c3c4cc([2H])cc([2H])c4n(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)c3ccc1n2-c1ccccc1.[2H]c1cc2c(oc3c([2H])cc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C6(C)C)cc32)c([2H])c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole?

The InChIKey is KYZLQTPCRYIODE-JYTHJKDFSA-N. The full InChI is InChI=1S/2C51H31N5O.2C48H32N4O/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-37-39-23-14-26-44(48(39)57-45(37)31-34)56-42-25-13-11-22-40(42)46-43(56)30-29-38-36-21-10-12-24-41(36)55(47(38)46)35-19-8-3-9-20-35;1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-38-45(31-34)57-44-26-14-25-41(46(38)44)56-40-24-13-11-22-37(40)48-43(56)30-29-42-47(48)36-21-10-12-23-39(36)55(42)35-19-8-3-9-20-35;1-48(2)35-20-11-9-18-32(35)42-36(48)26-27-39-44(42)33-19-10-12-21-37(33)52(39)38-22-13-23-40-43(38)34-25-24-31(28-41(34)53-40)47-50-45(29-14-5-3-6-15-29)49-46(51-47)30-16-7-4-8-17-30;1-48(2)38-19-11-9-17-33(38)35-24-25-40-43(44(35)48)36-18-10-12-20-39(36)52(40)32-22-26-41-37(28-32)34-23-21-31(27-42(34)53-41)47-50-45(29-13-5-3-6-14-29)49-46(51-47)30-15-7-4-8-16-30/h2*1-31H;2*3-28H,1-2H3/i10D,11D,24D,25D;10D,11D,23D,24D;9D,10D,11D,12D,18D,19D,20D,21D,26D,27D;21D,26D,27D.

What are the key properties of 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole?

4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 2842.44 g/mol, XLogP of 50.28, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12,12-dimethyl-5-[4,6,8-trideuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indeno[1,2-c]carbazole;5,7,16,18-tetradeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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;2,4,9,11-tetradeuterio-5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 167610498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).