2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine

C60H38N6S — CID 166565407

About 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine

2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 166565407) has the molecular formula C60H38N6S and a molecular weight of 875.07 g/mol. Its IUPAC name is 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 166565407
• Molecular Formula: C60H38N6S
• Molecular Weight: 875.07 g/mol
• Exact Mass: 874.29
• IUPAC Name: 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: C1=CC2c3ccccc3-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7sc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8c7c6)c5)n4)ccc3C2C=C1
• InChI: InChI=1S/C60H38N6S/c1-4-16-37(17-5-1)55-62-58(64-59(63-55)43-30-32-48-46-26-11-10-24-44(46)45-25-12-13-27-47(45)50(48)36-43)42-23-14-22-40(34-42)41-31-33-52-51(35-41)54-49(28-15-29-53(54)67-52)60-65-56(38-18-6-2-7-19-38)61-57(66-60)39-20-8-3-9-21-39/h1-36,44,46H
• InChIKey: DQTVOCQGEVSNAH-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 77.34 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.07
LogP ≤ 5	15.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 166565407) is 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine is C1=CC2c3ccccc3-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7sc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8c7c6)c5)n4)ccc3C2C=C1.

What is the InChIKey of 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is DQTVOCQGEVSNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N6S/c1-4-16-37(17-5-1)55-62-58(64-59(63-55)43-30-32-48-46-26-11-10-24-44(46)45-25-12-13-27-47(45)50(48)36-43)42-23-14-22-40(34-42)41-31-33-52-51(35-41)54-49(28-15-29-53(54)67-52)60-65-56(38-18-6-2-7-19-38)61-57(66-60)39-20-8-3-9-21-39/h1-36,44,46H.

What are the key properties of 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 875.07 g/mol, XLogP of 15.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166565407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).