2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine

C162H99N7S3 — CID 162152564

IUPAC2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5-c5sc7ccccc7c5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6-c6sc7ccccc7c65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/2C55H34N2S.C52H31N3S/c1-3-15-35(16-4-1)36-29-31-38(32-30-36)54-56-48(37-17-5-2-6-18-37)34-49(57-54)40-20-13-19-39(33-40)41-24-14-25-43-42-21-7-10-26-46(42)55(51(41)43)47-27-11-8-22-44(47)53-52(55)45-23-9-12-28-50(45)58-53;1-3-14-35(15-4-1)36-26-32-40(33-27-36)54-56-48(38-16-5-2-6-17-38)34-49(57-54)39-30-28-37(29-31-39)41-21-13-24-47-51(41)53-52(44-20-9-12-25-50(44)58-53)55(47)45-22-10-7-18-42(45)43-19-8-11-23-46(43)55;1-2-14-34(15-3-1)49-53-50(55-51(54-49)37-30-25-32-13-4-5-16-36(32)31-37)35-28-26-33(27-29-35)38-20-12-23-44-46(38)39-17-6-9-21-42(39)52(44)43-22-10-7-18-40(43)48-47(52)41-19-8-11-24-45(41)56-48/h2*1-34H;1-31H
InChIKeyZLKDXQNHLYWQNU-UHFFFAOYSA-N
MW2239.82 g/mol
LogP41.99
Rot. Bonds14

About 2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine

2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine (PubChem CID 162152564) has the molecular formula C162H99N7S3 and a molecular weight of 2239.82 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine
PubChem CID162152564
Molecular FormulaC162H99N7S3
Molecular Weight2239.82 g/mol
Exact Mass2237.71
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5-c5sc7ccccc7c5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6-c6sc7ccccc7c65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/2C55H34N2S.C52H31N3S/c1-3-15-35(16-4-1)36-29-31-38(32-30-36)54-56-48(37-17-5-2-6-18-37)34-49(57-54)40-20-13-19-39(33-40)41-24-14-25-43-42-21-7-10-26-46(42)55(51(41)43)47-27-11-8-22-44(47)53-52(55)45-23-9-12-28-50(45)58-53;1-3-14-35(15-4-1)36-26-32-40(33-27-36)54-56-48(38-16-5-2-6-17-38)34-49(57-54)39-30-28-37(29-31-39)41-21-13-24-47-51(41)53-52(44-20-9-12-25-50(44)58-53)55(47)45-22-10-7-18-42(45)43-19-8-11-23-46(43)55;1-2-14-34(15-3-1)49-53-50(55-51(54-49)37-30-25-32-13-4-5-16-36(32)31-37)35-28-26-33(27-29-35)38-20-12-23-44-46(38)39-17-6-9-21-42(39)52(44)43-22-10-7-18-40(43)48-47(52)41-19-8-11-24-45(41)56-48/h2*1-34H;1-31H
InChIKeyZLKDXQNHLYWQNU-UHFFFAOYSA-N
XLogP41.99
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002239.82
LogP ≤ 541.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine with MolForge

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Related Compounds

4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylpyrimidine
CID 161452910
2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-naphthalen-2-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)pyrimidine
CID 162009362
2-naphthalen-1-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyridine;2-naphthalen-1-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine
CID 159998892
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyrimidine
CID 134529406
2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine
CID 134529350
4-phenanthren-2-yl-2-phenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 130355554
4-naphthalen-2-yl-6-phenyl-2-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529496
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine
CID 134533556
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylpyrimidine
CID 134529343
4-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-1-yl)pyrimidine
CID 171584688
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)-1,3,5-triazine
CID 134529357

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine (CID 162152564) is 2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5-c5sc7ccccc7c5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc6c5C5(c7ccccc7-6)c6ccccc6-c6sc7ccccc7c65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine?
The InChIKey is ZLKDXQNHLYWQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H34N2S.C52H31N3S/c1-3-15-35(16-4-1)36-29-31-38(32-30-36)54-56-48(37-17-5-2-6-18-37)34-49(57-54)40-20-13-19-39(33-40)41-24-14-25-43-42-21-7-10-26-46(42)55(51(41)43)47-27-11-8-22-44(47)53-52(55)45-23-9-12-28-50(45)58-53;1-3-14-35(15-4-1)36-26-32-40(33-27-36)54-56-48(38-16-5-2-6-17-38)34-49(57-54)39-30-28-37(29-31-39)41-21-13-24-47-51(41)53-52(44-20-9-12-25-50(44)58-53)55(47)45-22-10-7-18-42(45)43-19-8-11-23-46(43)55;1-2-14-34(15-3-1)49-53-50(55-51(54-49)37-30-25-32-13-4-5-16-36(32)31-37)35-28-26-33(27-29-35)38-20-12-23-44-46(38)39-17-6-9-21-42(39)52(44)43-22-10-7-18-40(43)48-47(52)41-19-8-11-24-45(41)56-48/h2*1-34H;1-31H.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine?
2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine has a molecular weight of 2239.82 g/mol, XLogP of 41.99, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylphenyl)-1,3,5-triazine;4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine is sourced from PubChem (CID 162152564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).