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

C212H128N8S4 — CID 158467372

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

2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine (PubChem CID 158467372) has the molecular formula C212H128N8S4 and a molecular weight of 2915.68 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
• PubChem CID: 158467372
• Molecular Formula: C212H128N8S4
• Molecular Weight: 2915.68 g/mol
• Exact Mass: 2912.91
• IUPAC Name: 2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
• SMILES: c1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)-c3c(sc5ccccc35)C43c4ccccc4-c4ccccc43)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4sc6ccccc6c4-5)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3sc3ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4sc4ccccc54)c3)cc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/4C53H32N2S/c1-2-14-34(15-3-1)52-54-47(32-48(55-52)39-26-25-33-13-4-5-16-35(33)29-39)38-18-12-17-36(30-38)37-27-28-41-40-19-6-9-22-44(40)53(46(41)31-37)45-23-10-7-20-42(45)50-43-21-8-11-24-49(43)56-51(50)53;1-2-13-36(14-3-1)52-54-47(32-48(55-52)39-27-24-33-12-4-5-15-37(33)30-39)35-25-22-34(23-26-35)38-28-29-42-46(31-38)53(51-50(42)43-18-8-11-21-49(43)56-51)44-19-9-6-16-40(44)41-17-7-10-20-45(41)53;1-2-15-34(16-3-1)47-32-48(55-52(54-47)37-27-26-33-14-4-5-17-35(33)30-37)41-21-7-6-18-38(41)36-28-29-46-43(31-36)50-42-22-10-13-25-49(42)56-51(50)53(46)44-23-11-8-19-39(44)40-20-9-12-24-45(40)53;1-2-15-34(16-3-1)52-54-47(37-27-26-33-14-4-5-17-35(33)30-37)32-48(55-52)41-20-7-6-18-38(41)36-28-29-40-39-19-8-11-23-44(39)53(46(40)31-36)45-24-12-9-21-42(45)50-43-22-10-13-25-49(43)56-51(50)53/h4*1-32H
• InChIKey: HFXPFOZOBZEHSG-UHFFFAOYSA-N
• XLogP: 55.42
• TPSA: 103.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2915.68
LogP ≤ 5	55.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine (CID 158467372) is 2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine.

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

The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)-c3c(sc5ccccc35)C43c4ccccc4-c4ccccc43)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4sc6ccccc6c4-5)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3sc3ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4sc4ccccc54)c3)cc(-c3ccc4ccccc4c3)n2)cc1.

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

The InChIKey is HFXPFOZOBZEHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C53H32N2S/c1-2-14-34(15-3-1)52-54-47(32-48(55-52)39-26-25-33-13-4-5-16-35(33)29-39)38-18-12-17-36(30-38)37-27-28-41-40-19-6-9-22-44(40)53(46(41)31-37)45-23-10-7-20-42(45)50-43-21-8-11-24-49(43)56-51(50)53;1-2-13-36(14-3-1)52-54-47(32-48(55-52)39-27-24-33-12-4-5-15-37(33)30-39)35-25-22-34(23-26-35)38-28-29-42-46(31-38)53(51-50(42)43-18-8-11-21-49(43)56-51)44-19-9-6-16-40(44)41-17-7-10-20-45(41)53;1-2-15-34(16-3-1)47-32-48(55-52(54-47)37-27-26-33-14-4-5-17-35(33)30-37)41-21-7-6-18-38(41)36-28-29-46-43(31-36)50-42-22-10-13-25-49(42)56-51(50)53(46)44-23-11-8-19-39(44)40-20-9-12-24-45(40)53;1-2-15-34(16-3-1)52-54-47(37-27-26-33-14-4-5-17-35(33)30-37)32-48(55-52)41-20-7-6-18-38(41)36-28-29-40-39-19-8-11-23-44(39)53(46(40)31-36)45-24-12-9-21-42(45)50-43-22-10-13-25-49(43)56-51(50)53/h4*1-32H.

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

2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine has a molecular weight of 2915.68 g/mol, XLogP of 55.42, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine is sourced from PubChem (CID 158467372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).