2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine

C103H63N11S2 — CID 166695366

About 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine (PubChem CID 166695366) has the molecular formula C103H63N11S2 and a molecular weight of 1518.85 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
• PubChem CID: 166695366
• Molecular Formula: C103H63N11S2
• Molecular Weight: 1518.85 g/mol
• Exact Mass: 1517.47
• IUPAC Name: 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc9c(c8)sc8c(-c%10ccc(-c%11ccc(-c%12ccccc%12)nn%11)cc%10)c(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10)ccc89)c7)n6)cc5)ccc5c4sc4ccccc45)n3)c2)cc1
• InChI: InChI=1S/C103H63N11S2/c1-7-23-64(24-8-1)76-35-21-37-79(61-76)102-109-98(73-33-17-6-18-34-73)111-103(112-102)92-82(56-58-85-83-39-19-20-40-89(83)115-94(85)92)66-43-51-75(52-44-66)100-107-97(72-31-15-5-16-32-72)108-101(110-100)80-38-22-36-77(62-80)78-53-54-84-86-57-55-81(65-41-49-74(50-42-65)99-105-95(70-27-11-3-12-28-70)104-96(106-99)71-29-13-4-14-30-71)91(93(86)116-90(84)63-78)69-47-45-68(46-48-69)88-60-59-87(113-114-88)67-25-9-2-10-26-67/h1-63H
• InChIKey: OQLLEBONBLCATR-UHFFFAOYSA-N
• XLogP: 26.44
• TPSA: 141.79 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.85
LogP ≤ 5	26.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine (CID 166695366) is 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc9c(c8)sc8c(-c%10ccc(-c%11ccc(-c%12ccccc%12)nn%11)cc%10)c(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10)ccc89)c7)n6)cc5)ccc5c4sc4ccccc45)n3)c2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine?

The InChIKey is OQLLEBONBLCATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H63N11S2/c1-7-23-64(24-8-1)76-35-21-37-79(61-76)102-109-98(73-33-17-6-18-34-73)111-103(112-102)92-82(56-58-85-83-39-19-20-40-89(83)115-94(85)92)66-43-51-75(52-44-66)100-107-97(72-31-15-5-16-32-72)108-101(110-100)80-38-22-36-77(62-80)78-53-54-84-86-57-55-81(65-41-49-74(50-42-65)99-105-95(70-27-11-3-12-28-70)104-96(106-99)71-29-13-4-14-30-71)91(93(86)116-90(84)63-78)69-47-45-68(46-48-69)88-60-59-87(113-114-88)67-25-9-2-10-26-67/h1-63H.

What are the key properties of 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine?

2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine has a molecular weight of 1518.85 g/mol, XLogP of 26.44, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[4-[7-[3-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzothiophen-3-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 166695366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).