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

C97H57N7O2S — CID 147698776

IUPAC2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7nc(-c8ccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8)nc(-c8ccc9c(c8)sc8ccccc89)n7)cc6)ccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C97H57N7O2S/c1-2-18-61(19-3-1)90-99-93(104-95(103-90)83-30-16-17-53-98-83)64-43-37-60(38-44-64)67-48-52-82-87(56-67)106-86-55-66(47-51-81(86)97(82)77-27-11-6-22-71(77)72-23-7-12-28-78(72)97)59-35-41-63(42-36-59)92-100-91(101-94(102-92)68-45-49-74-73-24-8-15-32-88(73)107-89(74)57-68)62-39-33-58(34-40-62)65-46-50-80-85(54-65)105-84-31-14-13-29-79(84)96(80)75-25-9-4-20-69(75)70-21-5-10-26-76(70)96/h1-57H
InChIKeyGSLCCBAYPONNFR-UHFFFAOYSA-N
MW1384.64 g/mol
LogP23.76
Rot. Bonds9

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

2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine (PubChem CID 147698776) has the molecular formula C97H57N7O2S and a molecular weight of 1384.64 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
PubChem CID147698776
Molecular FormulaC97H57N7O2S
Molecular Weight1384.64 g/mol
Exact Mass1383.43
IUPAC Name2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7nc(-c8ccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8)nc(-c8ccc9c(c8)sc8ccccc89)n7)cc6)ccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C97H57N7O2S/c1-2-18-61(19-3-1)90-99-93(104-95(103-90)83-30-16-17-53-98-83)64-43-37-60(38-44-64)67-48-52-82-87(56-67)106-86-55-66(47-51-81(86)97(82)77-27-11-6-22-71(77)72-23-7-12-28-78(72)97)59-35-41-63(42-36-59)92-100-91(101-94(102-92)68-45-49-74-73-24-8-15-32-88(73)107-89(74)57-68)62-39-33-58(34-40-62)65-46-50-80-85(54-65)105-84-31-14-13-29-79(84)96(80)75-25-9-4-20-69(75)70-21-5-10-26-76(70)96/h1-57H
InChIKeyGSLCCBAYPONNFR-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-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-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-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine (CID 147698776) is 2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7nc(-c8ccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8)nc(-c8ccc9c(c8)sc8ccccc89)n7)cc6)ccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
The InChIKey is GSLCCBAYPONNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H57N7O2S/c1-2-18-61(19-3-1)90-99-93(104-95(103-90)83-30-16-17-53-98-83)64-43-37-60(38-44-64)67-48-52-82-87(56-67)106-86-55-66(47-51-81(86)97(82)77-27-11-6-22-71(77)72-23-7-12-28-78(72)97)59-35-41-63(42-36-59)92-100-91(101-94(102-92)68-45-49-74-73-24-8-15-32-88(73)107-89(74)57-68)62-39-33-58(34-40-62)65-46-50-80-85(54-65)105-84-31-14-13-29-79(84)96(80)75-25-9-4-20-69(75)70-21-5-10-26-76(70)96/h1-57H.
What are the key properties of 2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-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-[4-[6'-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 147698776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).