2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline

C198H120N18O5S — CID 161072502

About 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline

2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline (PubChem CID 161072502) has the molecular formula C198H120N18O5S and a molecular weight of 2863.33 g/mol. Its IUPAC name is 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline.

Molecular Properties

• Compound Name: 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline
• PubChem CID: 161072502
• Molecular Formula: C198H120N18O5S
• Molecular Weight: 2863.33 g/mol
• Exact Mass: 2860.94
• IUPAC Name: 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline
• SMILES: c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5nc6ccccc6o5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5nc6ccccc6s5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5ncc6ccccc6n5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1
• InChI: InChI=1S/C56H35N5O.C48H29N5O.C47H28N4O2.C47H28N4OS/c1-5-18-36(19-6-1)47-35-48(58-52(57-47)37-20-7-2-8-21-37)40-32-33-41-46(34-40)56(43-27-13-15-30-49(43)62-50-31-16-14-28-44(50)56)45-29-17-26-42(51(41)45)55-60-53(38-22-9-3-10-23-38)59-54(61-55)39-24-11-4-12-25-39;1-3-14-30(15-4-1)45-51-46(31-16-5-2-6-17-31)53-47(52-45)35-19-13-22-38-43(35)34-27-26-32(44-49-29-33-18-7-10-23-40(33)50-44)28-39(34)48(38)36-20-8-11-24-41(36)54-42-25-12-9-21-37(42)48;2*1-3-14-29(15-4-1)43-49-44(30-16-5-2-6-17-30)51-45(50-43)33-18-13-21-36-42(33)32-27-26-31(46-48-38-22-9-12-25-41(38)53-46)28-37(32)47(36)34-19-7-10-23-39(34)52-40-24-11-8-20-35(40)47/h1-35H;1-29H;2*1-28H
• InChIKey: UEVNVKBVXFYFPD-UHFFFAOYSA-N
• XLogP: 46.85
• TPSA: 282.08 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2863.33
LogP ≤ 5	46.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline?

The IUPAC name of 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline (CID 161072502) is 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline.

What is the SMILES notation for 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline?

The canonical SMILES for 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline is c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5nc6ccccc6o5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5nc6ccccc6s5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccc(-c5ncc6ccccc6n5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1.

What is the InChIKey of 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline?

The InChIKey is UEVNVKBVXFYFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O.C48H29N5O.C47H28N4O2.C47H28N4OS/c1-5-18-36(19-6-1)47-35-48(58-52(57-47)37-20-7-2-8-21-37)40-32-33-41-46(34-40)56(43-27-13-15-30-49(43)62-50-31-16-14-28-44(50)56)45-29-17-26-42(51(41)45)55-60-53(38-22-9-3-10-23-38)59-54(61-55)39-24-11-4-12-25-39;1-3-14-30(15-4-1)45-51-46(31-16-5-2-6-17-31)53-47(52-45)35-19-13-22-38-43(35)34-27-26-32(44-49-29-33-18-7-10-23-40(33)50-44)28-39(34)48(38)36-20-8-11-24-41(36)54-42-25-12-9-21-37(42)48;2*1-3-14-29(15-4-1)43-49-44(30-16-5-2-6-17-30)51-45(50-43)33-18-13-21-36-42(33)32-27-26-31(46-48-38-22-9-12-25-41(38)53-46)28-37(32)47(36)34-19-7-10-23-39(34)52-40-24-11-8-20-35(40)47/h1-35H;1-29H;2*1-28H.

What are the key properties of 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline?

2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline has a molecular weight of 2863.33 g/mol, XLogP of 46.85, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzothiazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3-benzoxazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinazoline is sourced from PubChem (CID 161072502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).