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

C97H57N7O2S — CID 155476433

IUPAC2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4cc(-c6cccc(-c7nc(-c8cccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)c8)nc(-c8ccc9c(c8)sc8ccccc89)n7)c6)ccc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccccn3)n2)cc1
InChIInChI=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)64-45-49-82-87(56-64)106-86-55-63(44-48-81(86)97(82)77-36-11-6-31-71(77)72-32-7-12-37-78(72)97)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)62-43-47-80-85(54-62)105-84-40-14-13-38-79(84)96(80)75-34-9-4-29-69(75)70-30-5-10-35-76(70)96/h1-57H
InChIKeyBDLJLBLNENPKCV-UHFFFAOYSA-N
MW1384.64 g/mol
LogP23.76
Rot. Bonds9

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

2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine (PubChem CID 155476433) has the molecular formula C97H57N7O2S and a molecular weight of 1384.64 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
PubChem CID155476433
Molecular FormulaC97H57N7O2S
Molecular Weight1384.64 g/mol
Exact Mass1383.43
IUPAC Name2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4cc(-c6cccc(-c7nc(-c8cccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)c8)nc(-c8ccc9c(c8)sc8ccccc89)n7)c6)ccc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccccn3)n2)cc1
InChIInChI=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)64-45-49-82-87(56-64)106-86-55-63(44-48-81(86)97(82)77-36-11-6-31-71(77)72-32-7-12-37-78(72)97)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)62-43-47-80-85(54-62)105-84-40-14-13-38-79(84)96(80)75-34-9-4-29-69(75)70-30-5-10-35-76(70)96/h1-57H
InChIKeyBDLJLBLNENPKCV-UHFFFAOYSA-N
XLogP23.76
TPSA108.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001384.64
LogP ≤ 523.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine (CID 155476433) is 2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4cc(-c6cccc(-c7nc(-c8cccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)c8)nc(-c8ccc9c(c8)sc8ccccc89)n7)c6)ccc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
The InChIKey is BDLJLBLNENPKCV-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)64-45-49-82-87(56-64)106-86-55-63(44-48-81(86)97(82)77-36-11-6-31-71(77)72-32-7-12-37-78(72)97)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)62-43-47-80-85(54-62)105-84-40-14-13-38-79(84)96(80)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-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-[3-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-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-[6'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155476433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).