2-dibenzothiophen-3-yl-4-[3-[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 146343074

IUPAC2-dibenzothiophen-3-yl-4-[3-[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(-c6cccc(-c7nc(-c8ccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8)nc(-c8ccc9c(c8)sc8ccccc89)n7)c6)ccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C97H57N7O2S/c1-2-19-60(20-3-1)90-99-92(104-95(103-90)83-33-16-17-52-98-83)62-42-38-59(39-43-62)65-46-50-81-86(55-65)106-87-56-66(47-51-82(87)97(81)77-30-11-6-25-71(77)72-26-7-12-31-78(72)97)63-21-18-22-67(53-63)93-100-91(101-94(102-93)68-44-48-74-73-27-8-15-35-88(73)107-89(74)57-68)61-40-36-58(37-41-61)64-45-49-80-85(54-64)105-84-34-14-13-32-79(84)96(80)75-28-9-4-23-69(75)70-24-5-10-29-76(70)96/h1-57H
InChIKeyAGBFCUPMGAQSBY-UHFFFAOYSA-N
MW1384.64 g/mol
LogP23.76
Rot. Bonds9

About 2-dibenzothiophen-3-yl-4-[3-[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-[3-[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 146343074) 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'-[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-[3-[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 CID146343074
Molecular FormulaC97H57N7O2S
Molecular Weight1384.64 g/mol
Exact Mass1383.43
IUPAC Name2-dibenzothiophen-3-yl-4-[3-[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(-c6cccc(-c7nc(-c8ccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8)nc(-c8ccc9c(c8)sc8ccccc89)n7)c6)ccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C97H57N7O2S/c1-2-19-60(20-3-1)90-99-92(104-95(103-90)83-33-16-17-52-98-83)62-42-38-59(39-43-62)65-46-50-81-86(55-65)106-87-56-66(47-51-82(87)97(81)77-30-11-6-25-71(77)72-26-7-12-31-78(72)97)63-21-18-22-67(53-63)93-100-91(101-94(102-93)68-44-48-74-73-27-8-15-35-88(73)107-89(74)57-68)61-40-36-58(37-41-61)64-45-49-80-85(54-64)105-84-34-14-13-32-79(84)96(80)75-28-9-4-23-69(75)70-24-5-10-29-76(70)96/h1-57H
InChIKeyAGBFCUPMGAQSBY-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'-[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-[3-[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-[3-[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 146343074) is 2-dibenzothiophen-3-yl-4-[3-[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-[3-[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-[3-[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(-c6cccc(-c7nc(-c8ccc(-c9ccc%10c(c9)Oc9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8)nc(-c8ccc9c(c8)sc8ccccc89)n7)c6)ccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-[3-[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 AGBFCUPMGAQSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H57N7O2S/c1-2-19-60(20-3-1)90-99-92(104-95(103-90)83-33-16-17-52-98-83)62-42-38-59(39-43-62)65-46-50-81-86(55-65)106-87-56-66(47-51-82(87)97(81)77-30-11-6-25-71(77)72-26-7-12-31-78(72)97)63-21-18-22-67(53-63)93-100-91(101-94(102-93)68-44-48-74-73-27-8-15-35-88(73)107-89(74)57-68)61-40-36-58(37-41-61)64-45-49-80-85(54-64)105-84-34-14-13-32-79(84)96(80)75-28-9-4-23-69(75)70-24-5-10-29-76(70)96/h1-57H.
What are the key properties of 2-dibenzothiophen-3-yl-4-[3-[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-[3-[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-[3-[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 146343074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).