5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine

C60H41N3S — CID 166134087

About 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine

5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine (PubChem CID 166134087) has the molecular formula C60H41N3S and a molecular weight of 836.08 g/mol. Its IUPAC name is 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine.

Molecular Properties

• Compound Name: 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
• PubChem CID: 166134087
• Molecular Formula: C60H41N3S
• Molecular Weight: 836.08 g/mol
• Exact Mass: 835.30
• IUPAC Name: 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
• SMILES: Cc1cc2c(c(-c3c(-c4ccccc4)nnnc3-c3cccc(-c4ccccc4)c3-c3c(-c4ccccc4-c4ccccc4)ccc4sc5ccccc5c34)c1C)Cc1ccccc1-2
• InChI: InChI=1S/C60H41N3S/c1-37-35-50-44-27-13-12-25-42(44)36-51(50)54(38(37)2)58-59(41-23-10-5-11-24-41)61-63-62-60(58)49-31-18-30-45(40-21-8-4-9-22-40)55(49)57-47(33-34-53-56(57)48-29-16-17-32-52(48)64-53)46-28-15-14-26-43(46)39-19-6-3-7-20-39/h3-35H,36H2,1-2H3
• InChIKey: AQZLPWAXWHGBRH-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 38.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.08
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine (CID 166134087) is 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine.

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

The canonical SMILES for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine is Cc1cc2c(c(-c3c(-c4ccccc4)nnnc3-c3cccc(-c4ccccc4)c3-c3c(-c4ccccc4-c4ccccc4)ccc4sc5ccccc5c34)c1C)Cc1ccccc1-2.

What is the InChIKey of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine?

The InChIKey is AQZLPWAXWHGBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3S/c1-37-35-50-44-27-13-12-25-42(44)36-51(50)54(38(37)2)58-59(41-23-10-5-11-24-41)61-63-62-60(58)49-31-18-30-45(40-21-8-4-9-22-40)55(49)57-47(33-34-53-56(57)48-29-16-17-32-52(48)64-53)46-28-15-14-26-43(46)39-19-6-3-7-20-39/h3-35H,36H2,1-2H3.

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

5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine has a molecular weight of 836.08 g/mol, XLogP of 16.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine is sourced from PubChem (CID 166134087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).