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

C87H49F6N7O4 — CID 166738052

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

2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine (PubChem CID 166738052) has the molecular formula C87H49F6N7O4 and a molecular weight of 1370.38 g/mol. Its IUPAC name is 2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
• PubChem CID: 166738052
• Molecular Formula: C87H49F6N7O4
• Molecular Weight: 1370.38 g/mol
• Exact Mass: 1369.38
• IUPAC Name: 2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
• SMILES: FC(F)(F)Oc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)nc(-c3ccc4c(c3)Oc3ccc(-c5ccnc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)Oc8ccccc8C98c9ccccc9-c9ccccc98)n7)cc6)c5)cc3C43c4ccccc4-c4ccccc43)n2)cc1
• InChI: InChI=1S/C87H49F6N7O4/c88-86(89,90)103-59-37-30-53(31-38-59)80-96-81(54-32-39-60(40-33-54)104-87(91,92)93)100-83(99-80)58-35-42-71-77(49-58)102-75-43-36-55(46-72(75)85(71)67-22-10-6-18-63(67)64-19-7-11-23-68(64)85)56-44-45-94-73(47-56)50-26-28-52(29-27-50)79-95-78(51-14-2-1-3-15-51)97-82(98-79)57-34-41-70-76(48-57)101-74-25-13-12-24-69(74)84(70)65-20-8-4-16-61(65)62-17-5-9-21-66(62)84/h1-49H
• InChIKey: HXFFOCNDRKWRSW-UHFFFAOYSA-N
• XLogP: 21.52
• TPSA: 127.15 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1370.38
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?

The IUPAC name of 2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine (CID 166738052) is 2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine.

What is the SMILES notation for 2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?

The canonical SMILES for 2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine is FC(F)(F)Oc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)nc(-c3ccc4c(c3)Oc3ccc(-c5ccnc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)Oc8ccccc8C98c9ccccc9-c9ccccc98)n7)cc6)c5)cc3C43c4ccccc4-c4ccccc43)n2)cc1.

What is the InChIKey of 2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?

The InChIKey is HXFFOCNDRKWRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H49F6N7O4/c88-86(89,90)103-59-37-30-53(31-38-59)80-96-81(54-32-39-60(40-33-54)104-87(91,92)93)100-83(99-80)58-35-42-71-77(49-58)102-75-43-36-55(46-72(75)85(71)67-22-10-6-18-63(67)64-19-7-11-23-68(64)85)56-44-45-94-73(47-56)50-26-28-52(29-27-50)79-95-78(51-14-2-1-3-15-51)97-82(98-79)57-34-41-70-76(48-57)101-74-25-13-12-24-69(74)84(70)65-20-8-4-16-61(65)62-17-5-9-21-66(62)84/h1-49H.

What are the key properties of 2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?

2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine has a molecular weight of 1370.38 g/mol, XLogP of 21.52, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[6'-[4,6-bis[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-2-pyridinyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine is sourced from PubChem (CID 166738052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).