2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C127H76ClN9O2 — CID 165108337

About 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 165108337) has the molecular formula C127H76ClN9O2 and a molecular weight of 1795.52 g/mol. Its IUPAC name is 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• PubChem CID: 165108337
• Molecular Formula: C127H76ClN9O2
• Molecular Weight: 1795.52 g/mol
• Exact Mass: 1793.58
• IUPAC Name: 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• SMILES: Clc1cc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4ccccc34)n2)c2c(c1)oc1ccccc12.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cc(-n6c7cc8ccccc8cc7c7c8ccccc8ccc76)cc6oc7ccccc7c56)n4)cc32)cc1.c1ccc2cc3c(cc2c1)Cc1ccc2ccccc2c1-3
• InChI: InChI=1S/C63H37N5O.C43H25ClN4O.C21H14/c1-2-20-43(21-3-1)67-53-27-12-10-24-47(53)48-31-29-42(35-55(48)67)61-64-62(49-26-14-19-38-15-6-8-22-45(38)49)66-63(65-61)52-36-44(37-58-60(52)50-25-11-13-28-57(50)69-58)68-54-32-30-39-16-7-9-23-46(39)59(54)51-33-40-17-4-5-18-41(40)34-56(51)68;44-28-24-35(40-34-17-7-9-20-38(34)49-39(40)25-28)43-46-41(45-42(47-43)33-18-10-12-26-11-4-5-15-30(26)33)27-21-22-32-31-16-6-8-19-36(31)48(37(32)23-27)29-13-2-1-3-14-29;1-2-7-16-13-20-18(11-15(16)6-1)12-17-10-9-14-5-3-4-8-19(14)21(17)20/h1-37H;1-25H;1-11,13H,12H2
• InChIKey: ZNHFMAMDJCSZBX-UHFFFAOYSA-N
• XLogP: 33.67
• TPSA: 118.41 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1795.52
LogP ≤ 5	33.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The IUPAC name of 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 165108337) is 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

What is the SMILES notation for 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The canonical SMILES for 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is Clc1cc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4ccccc34)n2)c2c(c1)oc1ccccc12.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cc(-n6c7cc8ccccc8cc7c7c8ccccc8ccc76)cc6oc7ccccc7c56)n4)cc32)cc1.c1ccc2cc3c(cc2c1)Cc1ccc2ccccc2c1-3.

What is the InChIKey of 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The InChIKey is ZNHFMAMDJCSZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5O.C43H25ClN4O.C21H14/c1-2-20-43(21-3-1)67-53-27-12-10-24-47(53)48-31-29-42(35-55(48)67)61-64-62(49-26-14-19-38-15-6-8-22-45(38)49)66-63(65-61)52-36-44(37-58-60(52)50-25-11-13-28-57(50)69-58)68-54-32-30-39-16-7-9-23-46(39)59(54)51-33-40-17-4-5-18-41(40)34-56(51)68;44-28-24-35(40-34-17-7-9-20-38(34)49-39(40)25-28)43-46-41(45-42(47-43)33-18-10-12-26-11-4-5-15-30(26)33)27-21-22-32-31-16-6-8-19-36(31)48(37(32)23-27)29-13-2-1-3-14-29;1-2-7-16-13-20-18(11-15(16)6-1)12-17-10-9-14-5-3-4-8-19(14)21(17)20/h1-37H;1-25H;1-11,13H,12H2.

What are the key properties of 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 1795.52 g/mol, XLogP of 33.67, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-chlorodibenzofuran-1-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole;12-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 165108337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).