2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine

C129H97N9O5 — CID 163457112

About 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine (PubChem CID 163457112) has the molecular formula C129H97N9O5 and a molecular weight of 1853.25 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine
• PubChem CID: 163457112
• Molecular Formula: C129H97N9O5
• Molecular Weight: 1853.25 g/mol
• Exact Mass: 1851.76
• IUPAC Name: 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine
• SMILES: CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2-c2c(ccc3c2oc2ccccc23)C1(C)C.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2-c2cc3oc4ccccc4c3cc2C1(C)C.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2c(ccc3oc4ccccc4c23)C1(C)C
• InChI: InChI=1S/2C45H33N3O2.C39H31N3O/c1-44(2)34-23-27(21-22-28(34)32-25-39-33(24-35(32)45(44,3)4)29-15-8-10-18-36(29)50-39)42-46-41(26-13-6-5-7-14-26)47-43(48-42)31-17-12-20-38-40(31)30-16-9-11-19-37(30)49-38;1-44(2)33-24-23-29-28-15-8-10-18-35(28)50-40(29)39(33)30-22-21-27(25-34(30)45(44,3)4)42-46-41(26-13-6-5-7-14-26)47-43(48-42)32-17-12-20-37-38(32)31-16-9-11-19-36(31)49-37;1-38(2)29-21-22-32-34(28-17-11-12-18-31(28)43-32)33(29)27-20-19-26(23-30(27)39(38,3)4)37-41-35(24-13-7-5-8-14-24)40-36(42-37)25-15-9-6-10-16-25/h2*5-25H,1-4H3;5-23H,1-4H3
• InChIKey: BLKADZKHMYGYHH-UHFFFAOYSA-N
• XLogP: 33.82
• TPSA: 181.71 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.25
LogP ≤ 5	33.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine (CID 163457112) is 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2-c2c(ccc3c2oc2ccccc23)C1(C)C.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2-c2cc3oc4ccccc4c3cc2C1(C)C.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2c(ccc3oc4ccccc4c23)C1(C)C.

What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine?

The InChIKey is BLKADZKHMYGYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H33N3O2.C39H31N3O/c1-44(2)34-23-27(21-22-28(34)32-25-39-33(24-35(32)45(44,3)4)29-15-8-10-18-36(29)50-39)42-46-41(26-13-6-5-7-14-26)47-43(48-42)31-17-12-20-38-40(31)30-16-9-11-19-37(30)49-38;1-44(2)33-24-23-29-28-15-8-10-18-35(28)50-40(29)39(33)30-22-21-27(25-34(30)45(44,3)4)42-46-41(26-13-6-5-7-14-26)47-43(48-42)32-17-12-20-37-38(32)31-16-9-11-19-36(31)49-37;1-38(2)29-21-22-32-34(28-17-11-12-18-31(28)43-32)33(29)27-20-19-26(23-30(27)39(38,3)4)37-41-35(24-13-7-5-8-14-24)40-36(42-37)25-15-9-6-10-16-25/h2*5-25H,1-4H3;5-23H,1-4H3.

What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine?

2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine has a molecular weight of 1853.25 g/mol, XLogP of 33.82, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-phenyl-6-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)-1,3,5-triazine;2,4-diphenyl-6-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)-1,3,5-triazine is sourced from PubChem (CID 163457112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).