2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C120H78N6O2S2 — CID 163430781

About 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 163430781) has the molecular formula C120H78N6O2S2 and a molecular weight of 1700.12 g/mol. Its IUPAC name is 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 163430781
• Molecular Formula: C120H78N6O2S2
• Molecular Weight: 1700.12 g/mol
• Exact Mass: 1698.56
• IUPAC Name: 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c(-c3cc(-c4cccc5c4-c4ccccc4C5(C)C)c4oc5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5c4c3)cccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6c(-c7cccc8c7sc7ccccc78)cc(-c7cccc8c7sc7ccccc78)cc6c45)c3)n2)cc1
• InChI: InChI=1S/C63H45N3O.C57H33N3OS2/c1-62(2)50-30-13-11-25-46(50)55-44(27-16-32-52(55)62)42-36-48(45-29-17-33-53-56(45)47-26-12-14-31-51(47)63(53,3)4)58-49(37-42)57-43(28-18-34-54(57)67-58)40-23-15-24-41(35-40)61-65-59(38-19-7-5-8-20-38)64-60(66-61)39-21-9-6-10-22-39;1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)37-20-11-19-36(31-37)39-23-14-28-48-51(39)47-33-38(40-24-12-25-43-41-21-7-9-29-49(41)62-53(40)43)32-46(52(47)61-48)45-27-13-26-44-42-22-8-10-30-50(42)63-54(44)45/h5-37H,1-4H3;1-33H
• InChIKey: AQHKGQUGPJYPKB-UHFFFAOYSA-N
• XLogP: 32.89
• TPSA: 103.62 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1700.12
LogP ≤ 5	32.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 163430781) is 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3cc(-c4cccc5c4-c4ccccc4C5(C)C)c4oc5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5c4c3)cccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6c(-c7cccc8c7sc7ccccc78)cc(-c7cccc8c7sc7ccccc78)cc6c45)c3)n2)cc1.

What is the InChIKey of 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is AQHKGQUGPJYPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N3O.C57H33N3OS2/c1-62(2)50-30-13-11-25-46(50)55-44(27-16-32-52(55)62)42-36-48(45-29-17-33-53-56(45)47-26-12-14-31-51(47)63(53,3)4)58-49(37-42)57-43(28-18-34-54(57)67-58)40-23-15-24-41(35-40)61-65-59(38-19-7-5-8-20-38)64-60(66-61)39-21-9-6-10-22-39;1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)37-20-11-19-36(31-37)39-23-14-28-48-51(39)47-33-38(40-24-12-25-43-41-21-7-9-29-49(41)62-53(40)43)32-46(52(47)61-48)45-27-13-26-44-42-22-8-10-30-50(42)63-54(44)45/h5-37H,1-4H3;1-33H.

What are the key properties of 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1700.12 g/mol, XLogP of 32.89, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6,8-bis(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 163430781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).