8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline

C273H172N22S5 — CID 165033497

About 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline

8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline (PubChem CID 165033497) has the molecular formula C273H172N22S5 and a molecular weight of 3920.87 g/mol. Its IUPAC name is 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline.

Molecular Properties

• Compound Name: 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline
• PubChem CID: 165033497
• Molecular Formula: C273H172N22S5
• Molecular Weight: 3920.87 g/mol
• Exact Mass: 3917.27
• IUPAC Name: 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline
• SMILES: C1=C(c2ccccn2)N=C(c2ccccn2)CC1c1ccc2c(c1)C1(c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3S2)c2ccccc2-c2ccccc21.C1=CC(c2ccc3c(c2)C2(c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4S3)c3ccccc3-c3ccccc32)CC=C1c1ccnc2ccccc12.c1ccc(-c2nc(-c3ccc4c(c3)C3(c5cc(-c6cncc7ccccc67)ccc5S4)c4ccccc4-c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7cccc8ccncc78)ccc6S5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5cc(-c6cccc(-c7nccc8ccccc78)c6)ccc5S4)c4ccccc4-c4ccccc43)n2)cc1
• InChI: InChI=1S/C55H36N6S.C55H36N4S.2C55H34N4S.C53H32N4S/c1-3-15-35(16-4-1)52-59-53(36-17-5-2-6-18-36)61-54(60-52)38-26-28-51-45(32-38)55(42-21-9-7-19-40(42)41-20-8-10-22-43(41)55)44-31-37(25-27-50(44)62-51)39-33-48(46-23-11-13-29-56-46)58-49(34-39)47-24-12-14-30-57-47;1-3-13-37(14-4-1)52-57-53(38-15-5-2-6-16-38)59-54(58-52)40-28-30-51-48(34-40)55(45-20-10-7-17-42(45)43-18-8-11-21-46(43)55)47-33-39(27-29-50(47)60-51)35-23-25-36(26-24-35)41-31-32-56-49-22-12-9-19-44(41)49;1-3-12-37(13-4-1)52-57-53(38-14-5-2-6-15-38)59-54(58-52)39-24-22-35(23-25-39)40-26-28-50-48(32-40)55(46-20-9-7-17-43(46)44-18-8-10-21-47(44)55)49-33-41(27-29-51(49)60-50)42-19-11-16-36-30-31-56-34-45(36)42;1-3-15-36(16-4-1)52-57-53(37-17-5-2-6-18-37)59-54(58-52)41-27-29-50-48(34-41)55(45-24-11-9-22-43(45)44-23-10-12-25-46(44)55)47-33-39(26-28-49(47)60-50)38-19-13-20-40(32-38)51-42-21-8-7-14-35(42)30-31-56-51;1-2-14-34(15-3-1)50-55-51(57-52(56-50)42-22-12-17-33-13-4-6-18-38(33)42)36-26-28-49-47(30-36)53(44-23-10-8-20-40(44)41-21-9-11-24-45(41)53)46-29-35(25-27-48(46)58-49)43-32-54-31-37-16-5-7-19-39(37)43/h1-33,39H,34H2;1-23,25-35H,24H2;2*1-34H;1-32H
• InChIKey: NAIAOIVOQQNICB-UHFFFAOYSA-N
• XLogP: 66.12
• TPSA: 283.05 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 300
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3920.87
LogP ≤ 5	66.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline?

The IUPAC name of 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline (CID 165033497) is 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline.

What is the SMILES notation for 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline?

The canonical SMILES for 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline is C1=C(c2ccccn2)N=C(c2ccccn2)CC1c1ccc2c(c1)C1(c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3S2)c2ccccc2-c2ccccc21.C1=CC(c2ccc3c(c2)C2(c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4S3)c3ccccc3-c3ccccc32)CC=C1c1ccnc2ccccc12.c1ccc(-c2nc(-c3ccc4c(c3)C3(c5cc(-c6cncc7ccccc67)ccc5S4)c4ccccc4-c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7cccc8ccncc78)ccc6S5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5cc(-c6cccc(-c7nccc8ccccc78)c6)ccc5S4)c4ccccc4-c4ccccc43)n2)cc1.

What is the InChIKey of 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline?

The InChIKey is NAIAOIVOQQNICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6S.C55H36N4S.2C55H34N4S.C53H32N4S/c1-3-15-35(16-4-1)52-59-53(36-17-5-2-6-18-36)61-54(60-52)38-26-28-51-45(32-38)55(42-21-9-7-19-40(42)41-20-8-10-22-43(41)55)44-31-37(25-27-50(44)62-51)39-33-48(46-23-11-13-29-56-46)58-49(34-39)47-24-12-14-30-57-47;1-3-13-37(14-4-1)52-57-53(38-15-5-2-6-16-38)59-54(58-52)40-28-30-51-48(34-40)55(45-20-10-7-17-42(45)43-18-8-11-21-46(43)55)47-33-39(27-29-50(47)60-51)35-23-25-36(26-24-35)41-31-32-56-49-22-12-9-19-44(41)49;1-3-12-37(13-4-1)52-57-53(38-14-5-2-6-15-38)59-54(58-52)39-24-22-35(23-25-39)40-26-28-50-48(32-40)55(46-20-9-7-17-43(46)44-18-8-10-21-47(44)55)49-33-41(27-29-51(49)60-50)42-19-11-16-36-30-31-56-34-45(36)42;1-3-15-36(16-4-1)52-57-53(37-17-5-2-6-18-37)59-54(58-52)41-27-29-50-48(34-41)55(45-24-11-9-22-43(45)44-23-10-12-25-46(44)55)47-33-39(26-28-49(47)60-50)38-19-13-20-40(32-38)51-42-21-8-7-14-35(42)30-31-56-51;1-2-14-34(15-3-1)50-55-51(57-52(56-50)42-22-12-17-33-13-4-6-18-38(33)42)36-26-28-49-47(30-36)53(44-23-10-8-20-40(44)41-21-9-11-24-45(41)53)46-29-35(25-27-48(46)58-49)43-32-54-31-37-16-5-7-19-39(37)43/h1-33,39H,34H2;1-23,25-35H,24H2;2*1-34H;1-32H.

What are the key properties of 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline?

8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline has a molecular weight of 3920.87 g/mol, XLogP of 66.12, 25 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline;4-[4-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]cyclohexa-1,5-dien-1-yl]quinoline;1-[3-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]isoquinoline;2-[7'-(2,6-dipyridin-2-yl-3,4-dihydropyridin-4-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;4-[7'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]isoquinoline is sourced from PubChem (CID 165033497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).