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

C90H54N8O2 — CID 146343277

IUPAC2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c(-c7ccc8c(c7)Oc7ccccc7C87c8ccccc8-c8ccccc87)n6)ccc4C54c5ccccc5-c5ccccc54)nc3)n2)cc1
InChIInChI=1S/C90H54N8O2/c1-5-23-55(24-6-1)83-93-84(56-25-7-2-8-26-56)96-87(95-83)62-44-49-76(91-54-62)59-41-46-73-79(51-59)100-80-52-60(42-47-74(80)90(73)70-37-19-15-33-65(70)66-34-16-20-38-71(66)90)77-50-45-67(88-97-85(57-27-9-3-10-28-57)94-86(98-88)58-29-11-4-12-30-58)82(92-77)61-43-48-75-81(53-61)99-78-40-22-21-39-72(78)89(75)68-35-17-13-31-63(68)64-32-14-18-36-69(64)89/h1-54H
InChIKeyIUHOJVSFEZOHEG-UHFFFAOYSA-N
MW1279.48 g/mol
LogP20.79
Rot. Bonds9

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

2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146343277) has the molecular formula C90H54N8O2 and a molecular weight of 1279.48 g/mol. Its IUPAC name is 2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID146343277
Molecular FormulaC90H54N8O2
Molecular Weight1279.48 g/mol
Exact Mass1278.44
IUPAC Name2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c(-c7ccc8c(c7)Oc7ccccc7C87c8ccccc8-c8ccccc87)n6)ccc4C54c5ccccc5-c5ccccc54)nc3)n2)cc1
InChIInChI=1S/C90H54N8O2/c1-5-23-55(24-6-1)83-93-84(56-25-7-2-8-26-56)96-87(95-83)62-44-49-76(91-54-62)59-41-46-73-79(51-59)100-80-52-60(42-47-74(80)90(73)70-37-19-15-33-65(70)66-34-16-20-38-71(66)90)77-50-45-67(88-97-85(57-27-9-3-10-28-57)94-86(98-88)58-29-11-4-12-30-58)82(92-77)61-43-48-75-81(53-61)99-78-40-22-21-39-72(78)89(75)68-35-17-13-31-63(68)64-32-14-18-36-69(64)89/h1-54H
InChIKeyIUHOJVSFEZOHEG-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-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine (CID 146343277) is 2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c(-c7ccc8c(c7)Oc7ccccc7C87c8ccccc8-c8ccccc87)n6)ccc4C54c5ccccc5-c5ccccc54)nc3)n2)cc1.
What is the InChIKey of 2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is IUHOJVSFEZOHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N8O2/c1-5-23-55(24-6-1)83-93-84(56-25-7-2-8-26-56)96-87(95-83)62-44-49-76(91-54-62)59-41-46-73-79(51-59)100-80-52-60(42-47-74(80)90(73)70-37-19-15-33-65(70)66-34-16-20-38-71(66)90)77-50-45-67(88-97-85(57-27-9-3-10-28-57)94-86(98-88)58-29-11-4-12-30-58)82(92-77)61-43-48-75-81(53-61)99-78-40-22-21-39-72(78)89(75)68-35-17-13-31-63(68)64-32-14-18-36-69(64)89/h1-54H.
What are the key properties of 2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
2-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-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-[6-[6'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146343277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).