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

C97H57N7O2S — CID 146343112

IUPAC2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccc(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccccn8)n7)cc65)ccc34)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C97H57N7O2S/c1-3-24-58(25-4-1)90-99-92(102-93(100-90)71-32-9-7-28-64(71)60-47-51-85-80(54-60)96(77-39-17-19-43-83(77)105-85)74-36-14-11-30-67(74)68-31-12-15-37-75(68)96)63-46-50-70-69-49-45-62(56-87(69)107-88(70)57-63)66-35-23-41-79-89(66)73-34-13-16-38-76(73)97(79)78-40-18-20-44-84(78)106-86-52-48-61(55-81(86)97)65-29-8-10-33-72(65)94-101-91(59-26-5-2-6-27-59)103-95(104-94)82-42-21-22-53-98-82/h1-57H
InChIKeyZEPNLYISQCFUCR-UHFFFAOYSA-N
MW1384.64 g/mol
LogP23.76
Rot. Bonds9

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

2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine (PubChem CID 146343112) has the molecular formula C97H57N7O2S and a molecular weight of 1384.64 g/mol. Its IUPAC name is 2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
PubChem CID146343112
Molecular FormulaC97H57N7O2S
Molecular Weight1384.64 g/mol
Exact Mass1383.43
IUPAC Name2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccc(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccccn8)n7)cc65)ccc34)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C97H57N7O2S/c1-3-24-58(25-4-1)90-99-92(102-93(100-90)71-32-9-7-28-64(71)60-47-51-85-80(54-60)96(77-39-17-19-43-83(77)105-85)74-36-14-11-30-67(74)68-31-12-15-37-75(68)96)63-46-50-70-69-49-45-62(56-87(69)107-88(70)57-63)66-35-23-41-79-89(66)73-34-13-16-38-76(73)97(79)78-40-18-20-44-84(78)106-86-52-48-61(55-81(86)97)65-29-8-10-33-72(65)94-101-91(59-26-5-2-6-27-59)103-95(104-94)82-42-21-22-53-98-82/h1-57H
InChIKeyZEPNLYISQCFUCR-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-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine (CID 146343112) is 2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccc(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccccn8)n7)cc65)ccc34)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?
The InChIKey is ZEPNLYISQCFUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H57N7O2S/c1-3-24-58(25-4-1)90-99-92(102-93(100-90)71-32-9-7-28-64(71)60-47-51-85-80(54-60)96(77-39-17-19-43-83(77)105-85)74-36-14-11-30-67(74)68-31-12-15-37-75(68)96)63-46-50-70-69-49-45-62(56-87(69)107-88(70)57-63)66-35-23-41-79-89(66)73-34-13-16-38-76(73)97(79)78-40-18-20-44-84(78)106-86-52-48-61(55-81(86)97)65-29-8-10-33-72(65)94-101-91(59-26-5-2-6-27-59)103-95(104-94)82-42-21-22-53-98-82/h1-57H.
What are the key properties of 2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine?
2-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-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-phenyl-4-[7-[2'-[2-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146343112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).