2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine

C198H110N12O11S2 — CID 165032547

About 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165032547) has the molecular formula C198H110N12O11S2 and a molecular weight of 2897.26 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 165032547
• Molecular Formula: C198H110N12O11S2
• Molecular Weight: 2897.26 g/mol
• Exact Mass: 2894.79
• IUPAC Name: 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1cc(-c2ccc3c(c2)oc2cc4c(cc23)oc2ccccc24)cc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5ccccc5c34)n2)c1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7oc8cc9oc%10ccccc%10c9cc8c7c6)c5)c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5oc6cc7c(cc6c5c4)oc4ccccc47)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)oc4cc6oc7ccccc7c6cc45)cc4c3sc3ccccc34)n2)cc1
• InChI: InChI=1S/C57H33N3O3.C51H27N3O4.2C45H25N3O2S/c1-2-12-34(13-3-1)35-14-9-18-40(29-35)55-58-56(60-57(59-55)44-22-11-25-51-54(44)43-21-5-7-24-49(43)61-51)41-19-10-17-38(30-41)36-15-8-16-37(28-36)39-26-27-50-45(31-39)47-32-46-42-20-4-6-23-48(42)62-52(46)33-53(47)63-50;1-4-17-39-31(12-1)37-26-46-38(27-45(37)57-39)32-23-22-29(25-44(32)58-46)28-10-7-11-30(24-28)49-52-50(35-15-8-20-42-47(35)33-13-2-5-18-40(33)55-42)54-51(53-49)36-16-9-21-43-48(36)34-14-3-6-19-41(34)56-43;1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)36-22-29(21-35-32-16-8-10-18-41(32)51-42(35)36)28-19-20-31-34-24-33-30-15-7-9-17-37(30)49-39(33)25-40(34)50-38(31)23-28;1-2-9-26(10-3-1)43-46-44(48-45(47-43)30-17-19-33-32-14-5-7-16-41(32)51-42(33)23-30)29-12-8-11-27(21-29)28-18-20-38-34(22-28)36-25-39-35(24-40(36)50-38)31-13-4-6-15-37(31)49-39/h1-33H;1-27H;2*1-25H
• InChIKey: MWQFGMWODDVSFT-UHFFFAOYSA-N
• XLogP: 55.12
• TPSA: 299.22 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2897.26
LogP ≤ 5	55.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine (CID 165032547) is 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine is c1cc(-c2ccc3c(c2)oc2cc4c(cc23)oc2ccccc24)cc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5ccccc5c34)n2)c1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7oc8cc9oc%10ccccc%10c9cc8c7c6)c5)c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5oc6cc7c(cc6c5c4)oc4ccccc47)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)oc4cc6oc7ccccc7c6cc45)cc4c3sc3ccccc34)n2)cc1.

What is the InChIKey of 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is MWQFGMWODDVSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3O3.C51H27N3O4.2C45H25N3O2S/c1-2-12-34(13-3-1)35-14-9-18-40(29-35)55-58-56(60-57(59-55)44-22-11-25-51-54(44)43-21-5-7-24-49(43)61-51)41-19-10-17-38(30-41)36-15-8-16-37(28-36)39-26-27-50-45(31-39)47-32-46-42-20-4-6-23-48(42)62-52(46)33-53(47)63-50;1-4-17-39-31(12-1)37-26-46-38(27-45(37)57-39)32-23-22-29(25-44(32)58-46)28-10-7-11-30(24-28)49-52-50(35-15-8-20-42-47(35)33-13-2-5-18-40(33)55-42)54-51(53-49)36-16-9-21-43-48(36)34-14-3-6-19-41(34)56-43;1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)36-22-29(21-35-32-16-8-10-18-41(32)51-42(35)36)28-19-20-31-34-24-33-30-15-7-9-17-37(30)49-39(33)25-40(34)50-38(31)23-28;1-2-9-26(10-3-1)43-46-44(48-45(47-43)30-17-19-33-32-14-5-7-16-41(32)51-42(33)23-30)29-12-8-11-27(21-29)28-18-20-38-34(22-28)36-25-39-35(24-40(36)50-38)31-13-4-6-15-37(31)49-39/h1-33H;1-27H;2*1-25H.

What are the key properties of 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine?

2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2897.26 g/mol, XLogP of 55.12, 18 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165032547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).