2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine

C197H122N8S4 — CID 158945600

About 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine

2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine (PubChem CID 158945600) has the molecular formula C197H122N8S4 and a molecular weight of 2729.47 g/mol. Its IUPAC name is 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine
• PubChem CID: 158945600
• Molecular Formula: C197H122N8S4
• Molecular Weight: 2729.47 g/mol
• Exact Mass: 2726.87
• IUPAC Name: 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine
• SMILES: C.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4sc6ccccc6c4-5)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc4c(c3)-c3c(sc5ccccc35)C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3sc3ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3sc3ccccc43)nc(-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C53H32N2S.C50H31NS.C47H28N2S.C46H27N3S.CH4/c1-2-16-34(17-3-1)47-32-48(40-25-14-18-33-15-4-5-19-36(33)40)55-52(54-47)41-22-7-6-20-37(41)35-29-30-39-38-21-8-11-26-44(38)53(46(39)31-35)45-27-12-9-23-42(45)50-43-24-10-13-28-49(43)56-51(50)53;1-3-14-32(15-4-1)45-30-37(31-46(51-45)33-16-5-2-6-17-33)35-19-13-18-34(28-35)36-26-27-40-44(29-36)50(49-48(40)41-22-9-12-25-47(41)52-49)42-23-10-7-20-38(42)39-21-8-11-24-43(39)50;1-2-14-30(15-3-1)41-28-42(35-21-12-16-29-13-4-5-17-32(29)35)49-46(48-41)31-25-26-40-37(27-31)44-36-20-8-11-24-43(36)50-45(44)47(40)38-22-9-6-18-33(38)34-19-7-10-23-39(34)47;1-2-14-29(15-3-1)43-47-44(49-45(48-43)34-21-12-16-28-13-4-5-17-31(28)34)30-25-26-33-32-18-6-9-22-37(32)46(39(33)27-30)38-23-10-7-19-35(38)41-36-20-8-11-24-40(36)50-42(41)46;/h1-32H;1-31H;1-28H;1-27H;1H4
• InChIKey: JKUANGIRKARWKJ-UHFFFAOYSA-N
• XLogP: 51.57
• TPSA: 103.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2729.47
LogP ≤ 5	51.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine?

The IUPAC name of 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine (CID 158945600) is 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine.

What is the SMILES notation for 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine?

The canonical SMILES for 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine is C.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4sc6ccccc6c4-5)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc4c(c3)-c3c(sc5ccccc35)C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3sc3ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3sc3ccccc43)nc(-c3cccc4ccccc34)n2)cc1.

What is the InChIKey of 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine?

The InChIKey is JKUANGIRKARWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2S.C50H31NS.C47H28N2S.C46H27N3S.CH4/c1-2-16-34(17-3-1)47-32-48(40-25-14-18-33-15-4-5-19-36(33)40)55-52(54-47)41-22-7-6-20-37(41)35-29-30-39-38-21-8-11-26-44(38)53(46(39)31-35)45-27-12-9-23-42(45)50-43-24-10-13-28-49(43)56-51(50)53;1-3-14-32(15-4-1)45-30-37(31-46(51-45)33-16-5-2-6-17-33)35-19-13-18-34(28-35)36-26-27-40-44(29-36)50(49-48(40)41-22-9-12-25-47(41)52-49)42-23-10-7-20-38(42)39-21-8-11-24-43(39)50;1-2-14-30(15-3-1)41-28-42(35-21-12-16-29-13-4-5-17-32(29)35)49-46(48-41)31-25-26-40-37(27-31)44-36-20-8-11-24-43(36)50-45(44)47(40)38-22-9-6-18-33(38)34-19-7-10-23-39(34)47;1-2-14-29(15-3-1)43-47-44(49-45(48-43)34-21-12-16-28-13-4-5-17-31(28)34)30-25-26-33-32-18-6-9-22-37(32)46(39(33)27-30)38-23-10-7-19-35(38)41-36-20-8-11-24-40(36)50-42(41)46;/h1-32H;1-31H;1-28H;1-27H;1H4.

What are the key properties of 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine?

2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine has a molecular weight of 2729.47 g/mol, XLogP of 51.57, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-diphenyl-4-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyridine;methane;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-yl-1,3,5-triazine is sourced from PubChem (CID 158945600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).