2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine

C51H30N10 — CID 58827728

IUPAC2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)cc43)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C51H30N10/c1-3-15-37-33(13-1)35-23-21-31(45-56-47(41-17-5-9-25-52-41)60-48(57-45)42-18-6-10-26-53-42)29-39(35)51(37)38-16-4-2-14-34(38)36-24-22-32(30-40(36)51)46-58-49(43-19-7-11-27-54-43)61-50(59-46)44-20-8-12-28-55-44/h1-30H
InChIKeyHCIZAUARFKVZEV-UHFFFAOYSA-N
MW782.87 g/mol
LogP9.98
Rot. Bonds6

About 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine

2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 58827728) has the molecular formula C51H30N10 and a molecular weight of 782.87 g/mol. Its IUPAC name is 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID58827728
Molecular FormulaC51H30N10
Molecular Weight782.87 g/mol
Exact Mass782.27
IUPAC Name2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)cc43)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C51H30N10/c1-3-15-37-33(13-1)35-23-21-31(45-56-47(41-17-5-9-25-52-41)60-48(57-45)42-18-6-10-26-53-42)29-39(35)51(37)38-16-4-2-14-34(38)36-24-22-32(30-40(36)51)46-58-49(43-19-7-11-27-54-43)61-50(59-46)44-20-8-12-28-55-44/h1-30H
InChIKeyHCIZAUARFKVZEV-UHFFFAOYSA-N
XLogP9.98
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.87
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine (CID 58827728) is 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)cc43)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is HCIZAUARFKVZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N10/c1-3-15-37-33(13-1)35-23-21-31(45-56-47(41-17-5-9-25-52-41)60-48(57-45)42-18-6-10-26-53-42)29-39(35)51(37)38-16-4-2-14-34(38)36-24-22-32(30-40(36)51)46-58-49(43-19-7-11-27-54-43)61-50(59-46)44-20-8-12-28-55-44/h1-30H.
What are the key properties of 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 782.87 g/mol, XLogP of 9.98, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 58827728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).