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

C196H118N18O5S — CID 159753004

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

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzothiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzoxazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenylquinazoline;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]quinoxaline (PubChem CID 159753004) has the molecular formula C196H118N18O5S and a molecular weight of 2837.29 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzothiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzoxazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenylquinazoline;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]quinoxaline.

Molecular Properties

• Compound Name: 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzothiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzoxazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenylquinazoline;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]quinoxaline
• PubChem CID: 159753004
• Molecular Formula: C196H118N18O5S
• Molecular Weight: 2837.29 g/mol
• Exact Mass: 2834.93
• IUPAC Name: 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzothiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzoxazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenylquinazoline;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]quinoxaline
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c(-c5cnc6ccccc6n5)cccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c(-c5nc(-c6ccccc6)c6ccccc6n5)cccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c(-c5nc6ccccc6o5)cccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c(-c5nc6ccccc6s5)cccc3-4)n2)cc1
• InChI: InChI=1S/C54H33N5O.C48H29N5O.C47H28N4O2.C47H28N4OS/c1-4-17-34(18-5-1)49-40-23-10-13-28-45(40)55-53(56-49)41-25-16-24-39-38-32-31-37(52-58-50(35-19-6-2-7-20-35)57-51(59-52)36-21-8-3-9-22-36)33-44(38)54(48(39)41)42-26-11-14-29-46(42)60-47-30-15-12-27-43(47)54;1-3-14-30(15-4-1)45-51-46(31-16-5-2-6-17-31)53-47(52-45)32-26-27-33-34-18-13-19-35(41-29-49-39-22-9-10-23-40(39)50-41)44(34)48(38(33)28-32)36-20-7-11-24-42(36)54-43-25-12-8-21-37(43)48;2*1-3-14-29(15-4-1)43-49-44(30-16-5-2-6-17-30)51-45(50-43)31-26-27-32-33-18-13-19-34(46-48-38-22-9-12-25-41(38)53-46)42(33)47(37(32)28-31)35-20-7-10-23-39(35)52-40-24-11-8-21-36(40)47/h1-33H;1-29H;2*1-28H
• InChIKey: NDWUYTBILJBUSK-UHFFFAOYSA-N
• XLogP: 46.34
• TPSA: 282.08 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2837.29
LogP ≤ 5	46.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzothiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzoxazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenylquinazoline;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]quinoxaline (CID 159753004) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzothiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzoxazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenylquinazoline;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]quinoxaline.

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

The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzothiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzoxazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenylquinazoline;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]quinoxaline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c(-c5cnc6ccccc6n5)cccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c(-c5nc(-c6ccccc6)c6ccccc6n5)cccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c(-c5nc6ccccc6o5)cccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c(-c5nc6ccccc6s5)cccc3-4)n2)cc1.

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

The InChIKey is NDWUYTBILJBUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5O.C48H29N5O.C47H28N4O2.C47H28N4OS/c1-4-17-34(18-5-1)49-40-23-10-13-28-45(40)55-53(56-49)41-25-16-24-39-38-32-31-37(52-58-50(35-19-6-2-7-20-35)57-51(59-52)36-21-8-3-9-22-36)33-44(38)54(48(39)41)42-26-11-14-29-46(42)60-47-30-15-12-27-43(47)54;1-3-14-30(15-4-1)45-51-46(31-16-5-2-6-17-31)53-47(52-45)32-26-27-33-34-18-13-19-35(41-29-49-39-22-9-10-23-40(39)50-41)44(34)48(38(33)28-32)36-20-7-11-24-42(36)54-43-25-12-8-21-37(43)48;2*1-3-14-29(15-4-1)43-49-44(30-16-5-2-6-17-30)51-45(50-43)31-26-27-32-33-18-13-19-34(46-48-38-22-9-12-25-41(38)53-46)42(33)47(37(32)28-31)35-20-7-10-23-39(35)52-40-24-11-8-21-36(40)47/h1-33H;1-29H;2*1-28H.

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

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzothiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzoxazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenylquinazoline;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]quinoxaline has a molecular weight of 2837.29 g/mol, XLogP of 46.34, 17 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzothiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-1,3-benzoxazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenylquinazoline;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]quinoxaline is sourced from PubChem (CID 159753004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).