2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine

C142H87N9O2S — CID 161104346

About 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine

2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine (PubChem CID 161104346) has the molecular formula C142H87N9O2S and a molecular weight of 1983.39 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine
• PubChem CID: 161104346
• Molecular Formula: C142H87N9O2S
• Molecular Weight: 1983.39 g/mol
• Exact Mass: 1981.67
• IUPAC Name: 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1ccc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc3c21.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2ccc3ccc4ccc5oc6ccccc6c5c4c3c2)c1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2ccc3ccc4ccc5sc6ccccc6c5c4c3c2)c1
• InChI: InChI=1S/C49H29N3O.C49H29N3S.C44H29N3O/c2*1-3-11-34-27-37(23-17-30(34)9-1)47-50-48(38-24-18-31-10-2-4-12-35(31)28-38)52-49(51-47)40-14-6-5-13-39(40)36-22-20-32-19-21-33-25-26-44-46(45(33)42(32)29-36)41-15-7-8-16-43(41)53-44;1-44(2)34-16-8-6-13-30(34)40-35(44)24-23-27-21-19-26-20-22-29(25-33(26)38(27)40)42-45-41(28-11-4-3-5-12-28)46-43(47-42)32-15-10-18-37-39(32)31-14-7-9-17-36(31)48-37/h2*1-29H;3-25H,1-2H3
• InChIKey: UIVQYFXSTSVXAD-UHFFFAOYSA-N
• XLogP: 37.96
• TPSA: 142.29 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1983.39
LogP ≤ 5	37.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine (CID 161104346) is 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1ccc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc3c21.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2ccc3ccc4ccc5oc6ccccc6c5c4c3c2)c1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2ccc3ccc4ccc5sc6ccccc6c5c4c3c2)c1.

What is the InChIKey of 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine?

The InChIKey is UIVQYFXSTSVXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O.C49H29N3S.C44H29N3O/c2*1-3-11-34-27-37(23-17-30(34)9-1)47-50-48(38-24-18-31-10-2-4-12-35(31)28-38)52-49(51-47)40-14-6-5-13-39(40)36-22-20-32-19-21-33-25-26-44-46(45(33)42(32)29-36)41-15-7-8-16-43(41)53-44;1-44(2)34-16-8-6-13-30(34)40-35(44)24-23-27-21-19-26-20-22-29(25-33(26)38(27)40)42-45-41(28-11-4-3-5-12-28)46-43(47-42)32-15-10-18-37-39(32)31-14-7-9-17-36(31)48-37/h2*1-29H;3-25H,1-2H3.

What are the key properties of 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine?

2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine has a molecular weight of 1983.39 g/mol, XLogP of 37.96, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-(9,9-dimethyl-19-pentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[2-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 161104346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).