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

C159H98N6S3 — CID 161452910

IUPAC4-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
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5-c5sc7ccccc7c5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c(c5)-c5sc7ccccc7c5C65c6ccccc6-c6ccccc65)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/2C55H34N2S.C49H30N2S/c1-3-14-35(15-4-1)36-26-28-38(29-27-36)54-56-49(37-16-5-2-6-17-37)34-50(57-54)41-19-13-18-39(32-41)40-30-31-48-45(33-40)53-52(44-22-9-12-25-51(44)58-53)55(48)46-23-10-7-20-42(46)43-21-8-11-24-47(43)55;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;1-3-14-31(15-4-1)32-26-28-34(29-27-32)48-50-42(33-16-5-2-6-17-33)30-43(51-48)37-21-13-24-41-45(37)35-18-7-10-22-39(35)49(41)40-23-11-8-19-36(40)47-46(49)38-20-9-12-25-44(38)52-47/h2*1-34H;1-30H
InChIKeyWATPEUPAWSWEHZ-UHFFFAOYSA-N
MW2188.78 g/mol
LogP41.44
Rot. Bonds14

About 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

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 (PubChem CID 161452910) has the molecular formula C159H98N6S3 and a molecular weight of 2188.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID161452910
Molecular FormulaC159H98N6S3
Molecular Weight2188.78 g/mol
Exact Mass2186.70
IUPAC Name4-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
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5-c5sc7ccccc7c5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c(c5)-c5sc7ccccc7c5C65c6ccccc6-c6ccccc65)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/2C55H34N2S.C49H30N2S/c1-3-14-35(15-4-1)36-26-28-38(29-27-36)54-56-49(37-16-5-2-6-17-37)34-50(57-54)41-19-13-18-39(32-41)40-30-31-48-45(33-40)53-52(44-22-9-12-25-51(44)58-53)55(48)46-23-10-7-20-42(46)43-21-8-11-24-47(43)55;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;1-3-14-31(15-4-1)32-26-28-34(29-27-32)48-50-42(33-16-5-2-6-17-33)30-43(51-48)37-21-13-24-41-45(37)35-18-7-10-22-39(35)49(41)40-23-11-8-19-36(40)47-46(49)38-20-9-12-25-44(38)52-47/h2*1-34H;1-30H
InChIKeyWATPEUPAWSWEHZ-UHFFFAOYSA-N
XLogP41.44
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002188.78
LogP ≤ 541.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyrimidine
CID 134529406
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
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-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)-1,3,5-triazine
CID 134529357
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
4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 142356601
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272127
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171585547
4-(3-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603742
4-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603309
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5-c5sc7ccccc7c5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c(c5)-c5sc7ccccc7c5C65c6ccccc6-c6ccccc65)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is WATPEUPAWSWEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H34N2S.C49H30N2S/c1-3-14-35(15-4-1)36-26-28-38(29-27-36)54-56-49(37-16-5-2-6-17-37)34-50(57-54)41-19-13-18-39(32-41)40-30-31-48-45(33-40)53-52(44-22-9-12-25-51(44)58-53)55(48)46-23-10-7-20-42(46)43-21-8-11-24-47(43)55;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;1-3-14-31(15-4-1)32-26-28-34(29-27-32)48-50-42(33-16-5-2-6-17-33)30-43(51-48)37-21-13-24-41-45(37)35-18-7-10-22-39(35)49(41)40-23-11-8-19-36(40)47-46(49)38-20-9-12-25-44(38)52-47/h2*1-34H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 2188.78 g/mol, XLogP of 41.44, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161452910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).