12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole

C269H160N20O5 — CID 163697327

About 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole

12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole (PubChem CID 163697327) has the molecular formula C269H160N20O5 and a molecular weight of 3752.37 g/mol. Its IUPAC name is 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole.

Molecular Properties

• Compound Name: 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole
• PubChem CID: 163697327
• Molecular Formula: C269H160N20O5
• Molecular Weight: 3752.37 g/mol
• Exact Mass: 3749.29
• IUPAC Name: 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole
• SMILES: c1ccc(-c2cc3c(c4ccccc24)c2ccccc2n3-c2ccc3c(c2)oc2cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc3c(c2)oc2cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)ccc23)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6c(-c7ccccc7)c7ccccc7cc65)ccc34)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc45)n3)ccc2c1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc45)n3)ccc2c1
• InChI: InChI=1S/C57H34N4O.C55H32N4O.2C53H32N4O.C51H30N4O/c1-2-14-37(15-3-1)49-34-51-54(47-19-9-8-18-44(47)49)48-20-10-11-21-50(48)61(51)43-27-29-46-45-28-26-42(32-52(45)62-53(46)33-43)57-59-55(40-24-22-35-12-4-6-16-38(35)30-40)58-56(60-57)41-25-23-36-13-5-7-17-39(36)31-41;1-3-13-37-29-39(19-17-33(37)9-1)53-56-54(40-20-18-34-10-2-4-14-38(34)30-40)58-55(57-53)41-21-25-45-46-26-24-42(32-50(46)60-49(45)31-41)59-47-27-22-35-11-5-7-15-43(35)51(47)52-44-16-8-6-12-36(44)23-28-48(52)59;1-3-14-34(15-4-1)49-41-20-10-9-19-37(41)30-46-50(49)44-21-11-12-22-45(44)57(46)40-26-28-43-42-27-25-39(31-47(42)58-48(43)32-40)53-55-51(35-16-5-2-6-17-35)54-52(56-53)38-24-23-33-13-7-8-18-36(33)29-38;1-3-11-33(12-4-1)39-22-26-47-45(29-39)46-28-37-17-9-10-18-38(37)30-48(46)57(47)42-23-25-44-43-24-21-41(31-49(43)58-50(44)32-42)53-55-51(35-14-5-2-6-15-35)54-52(56-53)40-20-19-34-13-7-8-16-36(34)27-40;1-3-12-34-27-36(19-17-31(34)9-1)49-52-50(37-20-18-32-10-2-4-13-35(32)28-37)54-51(53-49)38-21-24-41-42-25-23-39(30-47(42)56-46(41)29-38)55-44-16-8-7-15-43(44)48-40-14-6-5-11-33(40)22-26-45(48)55/h1-34H;1-32H;2*1-32H;1-30H
• InChIKey: JYAGGTCIWIMUPE-UHFFFAOYSA-N
• XLogP: 70.49
• TPSA: 283.70 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 294
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3752.37
LogP ≤ 5	70.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole?

The IUPAC name of 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole (CID 163697327) is 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole.

What is the SMILES notation for 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole?

The canonical SMILES for 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole is c1ccc(-c2cc3c(c4ccccc24)c2ccccc2n3-c2ccc3c(c2)oc2cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc3c(c2)oc2cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)ccc23)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)oc3cc(-n5c6ccccc6c6c(-c7ccccc7)c7ccccc7cc65)ccc34)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc45)n3)ccc2c1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc45)n3)ccc2c1.

What is the InChIKey of 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole?

The InChIKey is JYAGGTCIWIMUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O.C55H32N4O.2C53H32N4O.C51H30N4O/c1-2-14-37(15-3-1)49-34-51-54(47-19-9-8-18-44(47)49)48-20-10-11-21-50(48)61(51)43-27-29-46-45-28-26-42(32-52(45)62-53(46)33-43)57-59-55(40-24-22-35-12-4-6-16-38(35)30-40)58-56(60-57)41-25-23-36-13-5-7-17-39(36)31-41;1-3-13-37-29-39(19-17-33(37)9-1)53-56-54(40-20-18-34-10-2-4-14-38(34)30-40)58-55(57-53)41-21-25-45-46-26-24-42(32-50(46)60-49(45)31-41)59-47-27-22-35-11-5-7-15-43(35)51(47)52-44-16-8-6-12-36(44)23-28-48(52)59;1-3-14-34(15-4-1)49-41-20-10-9-19-37(41)30-46-50(49)44-21-11-12-22-45(44)57(46)40-26-28-43-42-27-25-39(31-47(42)58-48(43)32-40)53-55-51(35-16-5-2-6-17-35)54-52(56-53)38-24-23-33-13-7-8-18-36(33)29-38;1-3-11-33(12-4-1)39-22-26-47-45(29-39)46-28-37-17-9-10-18-38(37)30-48(46)57(47)42-23-25-44-43-24-21-41(31-49(43)58-50(44)32-42)53-55-51(35-14-5-2-6-15-35)54-52(56-53)40-20-19-34-13-7-8-16-36(34)27-40;1-3-12-34-27-36(19-17-31(34)9-1)49-52-50(37-20-18-32-10-2-4-13-35(32)28-37)54-51(53-49)38-21-24-41-42-25-23-39(30-47(42)56-46(41)29-38)55-44-16-8-7-15-43(44)48-40-14-6-5-11-33(40)22-26-45(48)55/h1-34H;1-32H;2*1-32H;1-30H.

What are the key properties of 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole?

12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole has a molecular weight of 3752.37 g/mol, XLogP of 70.49, 23 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[c]carbazole;7-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-5-phenylbenzo[c]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenylbenzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylbenzo[b]carbazole is sourced from PubChem (CID 163697327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).