2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine

C114H72N6OS — CID 163542546

About 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine

2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 163542546) has the molecular formula C114H72N6OS and a molecular weight of 1573.94 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 163542546
• Molecular Formula: C114H72N6OS
• Molecular Weight: 1573.94 g/mol
• Exact Mass: 1572.55
• IUPAC Name: 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(C3(c4ccc5sc6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c5c4)c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)oc4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc45)ccc4ccccc34)n2)cc1
• InChI: InChI=1S/C58H37N3S.C56H35N3O/c1-5-17-38(18-6-1)43-33-44(39-19-7-2-8-20-39)35-46(34-43)58(51-27-15-13-25-47(51)48-26-14-16-28-52(48)58)45-30-32-54-50(37-45)49-36-42(29-31-53(49)62-54)57-60-55(40-21-9-3-10-22-40)59-56(61-57)41-23-11-4-12-24-41;1-4-17-37(18-5-1)53-57-54(38-19-6-2-7-20-38)59-55(58-53)52-42-23-11-10-16-36(42)28-31-43(52)39-29-32-46-47-33-30-41(35-51(47)60-50(46)34-39)56(40-21-8-3-9-22-40)48-26-14-12-24-44(48)45-25-13-15-27-49(45)56/h1-37H;1-35H
• InChIKey: FCIBAWLHHILXBH-UHFFFAOYSA-N
• XLogP: 28.89
• TPSA: 90.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1573.94
LogP ≤ 5	28.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 163542546) is 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(C3(c4ccc5sc6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c5c4)c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)oc4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc45)ccc4ccccc34)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is FCIBAWLHHILXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3S.C56H35N3O/c1-5-17-38(18-6-1)43-33-44(39-19-7-2-8-20-39)35-46(34-43)58(51-27-15-13-25-47(51)48-26-14-16-28-52(48)58)45-30-32-54-50(37-45)49-36-42(29-31-53(49)62-54)57-60-55(40-21-9-3-10-22-40)59-56(61-57)41-23-11-4-12-24-41;1-4-17-37(18-5-1)53-57-54(38-19-6-2-7-20-38)59-55(58-53)52-42-23-11-10-16-36(42)28-31-43(52)39-29-32-46-47-33-30-41(35-51(47)60-50(46)34-39)56(40-21-8-3-9-22-40)48-26-14-12-24-44(48)45-25-13-15-27-49(45)56/h1-37H;1-35H.

What are the key properties of 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine?

2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1573.94 g/mol, XLogP of 28.89, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2-[8-[9-(3,5-diphenylphenyl)fluoren-9-yl]dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 163542546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).