2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine

C97H57N7O2S — CID 155304052

About 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine

2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine (PubChem CID 155304052) has the molecular formula C97H57N7O2S and a molecular weight of 1384.64 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
• PubChem CID: 155304052
• Molecular Formula: C97H57N7O2S
• Molecular Weight: 1384.64 g/mol
• Exact Mass: 1383.43
• IUPAC Name: 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6cc(-c7cccc(-c8nc(-c9cccc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12O%11)c%11ccccc%11-c%11ccccc%11%10)c9)nc(-c9ccc%10c(c9)sc9ccccc9%10)n8)c7)ccc6O5)c5ccccc5-c5ccccc54)c3)nc(-c3ccccn3)n2)cc1
• InChI: InChI=1S/C97H57N7O2S/c1-2-21-58(22-3-1)90-99-93(104-95(103-90)83-39-16-17-50-98-83)67-28-20-25-61(53-67)64-45-49-87-82(56-64)97(77-36-11-6-31-71(77)72-32-7-12-37-78(72)97)81-55-63(44-48-86(81)106-87)60-24-19-27-66(52-60)92-100-91(101-94(102-92)68-42-46-74-73-33-8-15-41-88(73)107-89(74)57-68)65-26-18-23-59(51-65)62-43-47-85-80(54-62)96(79-38-13-14-40-84(79)105-85)75-34-9-4-29-69(75)70-30-5-10-35-76(70)96/h1-57H
• InChIKey: OQPFURYIRCKFTA-UHFFFAOYSA-N
• XLogP: 23.76
• TPSA: 108.69 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1384.64
LogP ≤ 5	23.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine (CID 155304052) is 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6cc(-c7cccc(-c8nc(-c9cccc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12O%11)c%11ccccc%11-c%11ccccc%11%10)c9)nc(-c9ccc%10c(c9)sc9ccccc9%10)n8)c7)ccc6O5)c5ccccc5-c5ccccc54)c3)nc(-c3ccccn3)n2)cc1.

What is the InChIKey of 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?

The InChIKey is OQPFURYIRCKFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H57N7O2S/c1-2-21-58(22-3-1)90-99-93(104-95(103-90)83-39-16-17-50-98-83)67-28-20-25-61(53-67)64-45-49-87-82(56-64)97(77-36-11-6-31-71(77)72-32-7-12-37-78(72)97)81-55-63(44-48-86(81)106-87)60-24-19-27-66(52-60)92-100-91(101-94(102-92)68-42-46-74-73-33-8-15-41-88(73)107-89(74)57-68)65-26-18-23-59(51-65)62-43-47-85-80(54-62)96(79-38-13-14-40-84(79)105-85)75-34-9-4-29-69(75)70-30-5-10-35-76(70)96/h1-57H.

What are the key properties of 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?

2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine has a molecular weight of 1384.64 g/mol, XLogP of 23.76, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155304052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).