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

C90H54N8O2 — CID 146343200

IUPAC2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc3)nc(-c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)n6)cccc54)c3)n2)cc1
InChIInChI=1S/C90H54N8O2/c1-4-25-55(26-5-1)83-94-86(96-87(95-83)60-51-52-75(91-54-60)65-37-22-45-73-81(65)99-78-49-18-16-42-70(78)89(73)67-39-13-10-33-62(67)63-34-11-14-40-68(63)89)59-32-20-31-58(53-59)61-36-21-44-72-80(61)64-35-12-15-41-69(64)90(72)71-43-17-19-50-79(71)100-82-66(38-23-46-74(82)90)76-47-24-48-77(92-76)88-97-84(56-27-6-2-7-28-56)93-85(98-88)57-29-8-3-9-30-57/h1-54H
InChIKeyAXTSQKDUXIFVIJ-UHFFFAOYSA-N
MW1279.48 g/mol
LogP20.79
Rot. Bonds9

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

2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine (PubChem CID 146343200) has the molecular formula C90H54N8O2 and a molecular weight of 1279.48 g/mol. Its IUPAC name is 2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine
PubChem CID146343200
Molecular FormulaC90H54N8O2
Molecular Weight1279.48 g/mol
Exact Mass1278.44
IUPAC Name2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc3)nc(-c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)n6)cccc54)c3)n2)cc1
InChIInChI=1S/C90H54N8O2/c1-4-25-55(26-5-1)83-94-86(96-87(95-83)60-51-52-75(91-54-60)65-37-22-45-73-81(65)99-78-49-18-16-42-70(78)89(73)67-39-13-10-33-62(67)63-34-11-14-40-68(63)89)59-32-20-31-58(53-59)61-36-21-44-72-80(61)64-35-12-15-41-69(64)90(72)71-43-17-19-50-79(71)100-82-66(38-23-46-74(82)90)76-47-24-48-77(92-76)88-97-84(56-27-6-2-7-28-56)93-85(98-88)57-29-8-3-9-30-57/h1-54H
InChIKeyAXTSQKDUXIFVIJ-UHFFFAOYSA-N
XLogP20.79
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.48
LogP ≤ 520.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine (CID 146343200) is 2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc3)nc(-c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)n6)cccc54)c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine?
The InChIKey is AXTSQKDUXIFVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N8O2/c1-4-25-55(26-5-1)83-94-86(96-87(95-83)60-51-52-75(91-54-60)65-37-22-45-73-81(65)99-78-49-18-16-42-70(78)89(73)67-39-13-10-33-62(67)63-34-11-14-40-68(63)89)59-32-20-31-58(53-59)61-36-21-44-72-80(61)64-35-12-15-41-69(64)90(72)71-43-17-19-50-79(71)100-82-66(38-23-46-74(82)90)76-47-24-48-77(92-76)88-97-84(56-27-6-2-7-28-56)93-85(98-88)57-29-8-3-9-30-57/h1-54H.
What are the key properties of 2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine?
2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine has a molecular weight of 1279.48 g/mol, XLogP of 20.79, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[6-[4-[3-[4-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-2-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 146343200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).