2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine

C284H177N25O6S2 — CID 161212444

About 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 161212444) has the molecular formula C284H177N25O6S2 and a molecular weight of 4099.84 g/mol. Its IUPAC name is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 161212444
• Molecular Formula: C284H177N25O6S2
• Molecular Weight: 4099.84 g/mol
• Exact Mass: 4096.38
• IUPAC Name: 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2c(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3-4)nc(-c3ccccc3)nc21.CC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3-4)nc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3c(-c5cccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c5)cccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3c(-c5nnc(-c6ccccc6)o5)cccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3c-4cccc3-c3nc(-c4ccccc4)nc4c3sc3ccccc34)n2)cc1
• InChI: InChI=1S/C62H37N5OS.2C59H39N5O.C56H33N5OS.C48H29N5O2/c1-4-19-38(20-5-1)55-57-56(46-27-10-15-36-52(46)69-57)64-60(63-55)42-26-16-25-41(37-42)43-28-17-29-44-45-30-18-31-47(61-66-58(39-21-6-2-7-22-39)65-59(67-61)40-23-8-3-9-24-40)54(45)62(53(43)44)48-32-11-13-34-50(48)68-51-35-14-12-33-49(51)62;1-58(2)44-31-13-12-26-41(44)49-52(60-54(61-53(49)58)36-20-6-3-7-21-36)42-29-18-27-39-40-28-19-30-43(57-63-55(37-22-8-4-9-23-37)62-56(64-57)38-24-10-5-11-25-38)51(40)59(50(39)42)45-32-14-16-34-47(45)65-48-35-17-15-33-46(48)59;1-58(2)44-31-13-12-26-41(44)49-52(36-20-6-3-7-21-36)60-56(61-53(49)58)42-29-18-27-39-40-28-19-30-43(57-63-54(37-22-8-4-9-23-37)62-55(64-57)38-24-10-5-11-25-38)51(40)59(50(39)42)45-32-14-16-34-47(45)65-48-35-17-15-33-46(48)59;1-4-18-34(19-5-1)52-57-49-39-24-10-15-33-46(39)63-51(49)50(58-52)40-27-16-25-37-38-26-17-28-41(55-60-53(35-20-6-2-7-21-35)59-54(61-55)36-22-8-3-9-23-36)48(38)56(47(37)40)42-29-11-13-31-44(42)62-45-32-14-12-30-43(45)56;1-4-16-30(17-5-1)43-49-44(31-18-6-2-7-19-31)51-45(50-43)35-24-14-22-33-34-23-15-25-36(47-53-52-46(55-47)32-20-8-3-9-21-32)42(34)48(41(33)35)37-26-10-12-28-39(37)54-40-29-13-11-27-38(40)48/h1-37H;2*3-35H,1-2H3;1-33H;1-29H
• InChIKey: UWKMLUCTWLTKCN-UHFFFAOYSA-N
• XLogP: 67.94
• TPSA: 381.54 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 317
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4099.84
LogP ≤ 5	67.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

The IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine (CID 161212444) is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

What is the SMILES notation for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

The canonical SMILES for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2c(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3-4)nc(-c3ccccc3)nc21.CC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3-4)nc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3c(-c5cccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c5)cccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3c(-c5nnc(-c6ccccc6)o5)cccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3c-4cccc3-c3nc(-c4ccccc4)nc4c3sc3ccccc34)n2)cc1.

What is the InChIKey of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

The InChIKey is UWKMLUCTWLTKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N5OS.2C59H39N5O.C56H33N5OS.C48H29N5O2/c1-4-19-38(20-5-1)55-57-56(46-27-10-15-36-52(46)69-57)64-60(63-55)42-26-16-25-41(37-42)43-28-17-29-44-45-30-18-31-47(61-66-58(39-21-6-2-7-22-39)65-59(67-61)40-23-8-3-9-24-40)54(45)62(53(43)44)48-32-11-13-34-50(48)68-51-35-14-12-33-49(51)62;1-58(2)44-31-13-12-26-41(44)49-52(60-54(61-53(49)58)36-20-6-3-7-21-36)42-29-18-27-39-40-28-19-30-43(57-63-55(37-22-8-4-9-23-37)62-56(64-57)38-24-10-5-11-25-38)51(40)59(50(39)42)45-32-14-16-34-47(45)65-48-35-17-15-33-46(48)59;1-58(2)44-31-13-12-26-41(44)49-52(36-20-6-3-7-21-36)60-56(61-53(49)58)42-29-18-27-39-40-28-19-30-43(57-63-54(37-22-8-4-9-23-37)62-55(64-57)38-24-10-5-11-25-38)51(40)59(50(39)42)45-32-14-16-34-47(45)65-48-35-17-15-33-46(48)59;1-4-18-34(19-5-1)52-57-49-39-24-10-15-33-46(39)63-51(49)50(58-52)40-27-16-25-37-38-26-17-28-41(55-60-53(35-20-6-2-7-21-35)59-54(61-55)36-22-8-3-9-23-36)48(38)56(47(37)40)42-29-11-13-31-44(42)62-45-32-14-12-30-43(45)56;1-4-16-30(17-5-1)43-49-44(31-18-6-2-7-19-31)51-45(50-43)35-24-14-22-33-34-23-15-25-36(47-53-52-46(55-47)32-20-8-3-9-21-32)42(34)48(41(33)35)37-26-10-12-28-39(37)54-40-29-13-11-27-38(40)48/h1-37H;2*3-35H,1-2H3;1-33H;1-29H.

What are the key properties of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 4099.84 g/mol, XLogP of 67.94, 26 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-5-phenyl-1,3,4-oxadiazole;2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 161212444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).