2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine

C70H41N3S3 — CID 163760786

About 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine (PubChem CID 163760786) has the molecular formula C70H41N3S3 and a molecular weight of 1020.32 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
• PubChem CID: 163760786
• Molecular Formula: C70H41N3S3
• Molecular Weight: 1020.32 g/mol
• Exact Mass: 1019.25
• IUPAC Name: 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5cc(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)c5)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1
• InChI: InChI=1S/C70H41N3S3/c1-3-17-47(18-4-1)70(48-19-5-2-6-20-48)58-28-11-7-24-53(58)65-54(26-16-29-59(65)70)68-71-67(72-69(73-68)55-27-15-25-52-49-21-8-14-32-62(49)76-66(52)55)46-38-44(42-33-35-63-56(40-42)50-22-9-12-30-60(50)74-63)37-45(39-46)43-34-36-64-57(41-43)51-23-10-13-31-61(51)75-64/h1-41H
• InChIKey: LXZLBVNRKDWBEL-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 38.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.32
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine (CID 163760786) is 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5cc(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)c5)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1.

What is the InChIKey of 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?

The InChIKey is LXZLBVNRKDWBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H41N3S3/c1-3-17-47(18-4-1)70(48-19-5-2-6-20-48)58-28-11-7-24-53(58)65-54(26-16-29-59(65)70)68-71-67(72-69(73-68)55-27-15-25-52-49-21-8-14-32-62(49)76-66(52)55)46-38-44(42-33-35-63-56(40-42)50-22-9-12-30-60(50)74-63)37-45(39-46)43-34-36-64-57(41-43)51-23-10-13-31-61(51)75-64/h1-41H.

What are the key properties of 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?

2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine has a molecular weight of 1020.32 g/mol, XLogP of 19.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine is sourced from PubChem (CID 163760786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).