12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C84H48N4 — CID 90247348

About 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 90247348) has the molecular formula C84H48N4 and a molecular weight of 1113.34 g/mol. Its IUPAC name is 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

• Compound Name: 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
• PubChem CID: 90247348
• Molecular Formula: C84H48N4
• Molecular Weight: 1113.34 g/mol
• Exact Mass: 1112.39
• IUPAC Name: 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-n4c5ccccc5c5ccc6c(c54)-c4ccccc4C64c5ccccc5-c5ccccc54)n3)cc21
• InChI: InChI=1S/C84H48N4/c1-11-31-64-51(21-1)52-22-2-12-32-65(52)82(64)72-39-19-9-30-63(72)77-73(82)46-45-62-61-29-10-20-40-76(61)88(78(62)77)81-86-79(49-41-43-59-57-27-7-17-37-70(57)83(74(59)47-49)66-33-13-3-23-53(66)54-24-4-14-34-67(54)83)85-80(87-81)50-42-44-60-58-28-8-18-38-71(58)84(75(60)48-50)68-35-15-5-25-55(68)56-26-6-16-36-69(56)84/h1-48H
• InChIKey: WDFYRVKUOQFDAZ-UHFFFAOYSA-N
• XLogP: 19.33
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1113.34
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The IUPAC name of 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (CID 90247348) is 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

What is the SMILES notation for 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The canonical SMILES for 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-n4c5ccccc5c5ccc6c(c54)-c4ccccc4C64c5ccccc5-c5ccccc54)n3)cc21.

What is the InChIKey of 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The InChIKey is WDFYRVKUOQFDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N4/c1-11-31-64-51(21-1)52-22-2-12-32-65(52)82(64)72-39-19-9-30-63(72)77-73(82)46-45-62-61-29-10-20-40-76(61)88(78(62)77)81-86-79(49-41-43-59-57-27-7-17-37-70(57)83(74(59)47-49)66-33-13-3-23-53(66)54-24-4-14-34-67(54)83)85-80(87-81)50-42-44-60-58-28-8-18-38-71(58)84(75(60)48-50)68-35-15-5-25-55(68)56-26-6-16-36-69(56)84/h1-48H.

What are the key properties of 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 1113.34 g/mol, XLogP of 19.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 90247348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).