2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine

C149H98N4OS3 — CID 160736293

IUPAC2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine
SMILESCC1(C)c2ccc3c(c2-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c21)Oc1ccccc1C31c2ccccc2-c2ccccc21.CC1(C)c2ccc3c(c2-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c21)Sc1ccccc1C31c2ccccc2-c2ccccc21.c1ccc(-c2cc(-c3ccc4sc5ccc6c(c5c4c3)Sc3ccccc3C63c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H35NO.C51H35NS.C47H28N2S2/c2*1-50(2)42-28-29-43-49(53-46-27-14-13-26-41(46)51(43)39-24-11-9-20-35(39)36-21-10-12-25-40(36)51)47(42)38-23-15-22-37(48(38)50)45-31-34(32-16-5-3-6-17-32)30-44(52-45)33-18-7-4-8-19-33;1-3-13-29(14-4-1)39-28-40(49-46(48-39)30-15-5-2-6-16-30)31-23-25-41-34(27-31)44-43(50-41)26-24-38-45(44)51-42-22-12-11-21-37(42)47(38)35-19-9-7-17-32(35)33-18-8-10-20-36(33)47/h2*3-31H,1-2H3;1-28H
InChIKeyRUZMGXFPALUXBT-UHFFFAOYSA-N
MW2056.65 g/mol
LogP38.75
Rot. Bonds9

About 2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine

2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine (PubChem CID 160736293) has the molecular formula C149H98N4OS3 and a molecular weight of 2056.65 g/mol. Its IUPAC name is 2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine.

Molecular Properties

Compound Name2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine
PubChem CID160736293
Molecular FormulaC149H98N4OS3
Molecular Weight2056.65 g/mol
Exact Mass2054.69
IUPAC Name2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine
SMILESCC1(C)c2ccc3c(c2-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c21)Oc1ccccc1C31c2ccccc2-c2ccccc21.CC1(C)c2ccc3c(c2-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c21)Sc1ccccc1C31c2ccccc2-c2ccccc21.c1ccc(-c2cc(-c3ccc4sc5ccc6c(c5c4c3)Sc3ccccc3C63c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H35NO.C51H35NS.C47H28N2S2/c2*1-50(2)42-28-29-43-49(53-46-27-14-13-26-41(46)51(43)39-24-11-9-20-35(39)36-21-10-12-25-40(36)51)47(42)38-23-15-22-37(48(38)50)45-31-34(32-16-5-3-6-17-32)30-44(52-45)33-18-7-4-8-19-33;1-3-13-29(14-4-1)39-28-40(49-46(48-39)30-15-5-2-6-16-30)31-23-25-41-34(27-31)44-43(50-41)26-24-38-45(44)51-42-22-12-11-21-37(42)47(38)35-19-9-7-17-32(35)33-18-8-10-20-36(33)47/h2*3-31H,1-2H3;1-28H
InChIKeyRUZMGXFPALUXBT-UHFFFAOYSA-N
XLogP38.75
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002056.65
LogP ≤ 538.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(13,13-dimethylspiro[anthra[2,1-b][1]benzothiole-8,9'-fluorene]-2-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-11'-yl)-4,6-diphenylpyridine
CID 161420197
2-(10,10-dimethylspiro[21-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,9'-fluorene]-8-yl)-4,6-diphenylpyridine;2-(10,10-dimethylspiro[21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,9'-fluorene]-8-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,9'-fluorene]-6-ylpyrimidine;2,4-diphenyl-6-spiro[21-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,9'-fluorene]-6-ylpyrimidine
CID 159780188
2-(13,13-dimethylspiro[anthra[2,1-b][1]benzofuran-8,9'-fluorene]-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-1-ylpyrimidine;2-phenyl-4-(4-phenylphenyl)-6-spiro[[1]benzothiolo[2,3-c]xanthene-8,9'-fluorene]-1-ylpyrimidine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,8'-thioxantheno[3,4-b][1]benzofuran]-1'-ylpyrimidine
CID 159605865
2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-12'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[[1]benzofuro[2,3-c]xanthene-8,9'-fluorene]-1-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[[1]benzothiolo[2,3-c]xanthene-8,9'-fluorene]-1-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,8'-thioxantheno[3,4-b][1]benzofuran]-1'-yl-1,3,5-triazine
CID 158345257
5-dibenzothiophen-2-ylspiro[chromeno[3,2-c]carbazole-8,9'-fluorene];5'-dibenzothiophen-3-ylspiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]
CID 159326715
4-dibenzothiophen-3-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388531
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-3'-ylpyrimidine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
CID 158617816
4,6-diphenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 157436117
4-(14,14-dimethyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-2,6-diphenylpyrimidine
CID 146647795
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388535

Frequently Asked Questions

What is the IUPAC name of 2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine?
The IUPAC name of 2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine (CID 160736293) is 2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine.
What is the SMILES notation for 2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine?
The canonical SMILES for 2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine is CC1(C)c2ccc3c(c2-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c21)Oc1ccccc1C31c2ccccc2-c2ccccc21.CC1(C)c2ccc3c(c2-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c21)Sc1ccccc1C31c2ccccc2-c2ccccc21.c1ccc(-c2cc(-c3ccc4sc5ccc6c(c5c4c3)Sc3ccccc3C63c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine?
The InChIKey is RUZMGXFPALUXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO.C51H35NS.C47H28N2S2/c2*1-50(2)42-28-29-43-49(53-46-27-14-13-26-41(46)51(43)39-24-11-9-20-35(39)36-21-10-12-25-40(36)51)47(42)38-23-15-22-37(48(38)50)45-31-34(32-16-5-3-6-17-32)30-44(52-45)33-18-7-4-8-19-33;1-3-13-29(14-4-1)39-28-40(49-46(48-39)30-15-5-2-6-16-30)31-23-25-41-34(27-31)44-43(50-41)26-24-38-45(44)51-42-22-12-11-21-37(42)47(38)35-19-9-7-17-32(35)33-18-8-10-20-36(33)47/h2*3-31H,1-2H3;1-28H.
What are the key properties of 2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine?
2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine has a molecular weight of 2056.65 g/mol, XLogP of 38.75, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]thioxanthene]-9'-yl)-4,6-diphenylpyridine;2-(8',8'-dimethylspiro[fluorene-9,5'-indeno[2,1-c]xanthene]-9'-yl)-4,6-diphenylpyridine;2,4-diphenyl-6-spiro[[1]benzothiolo[2,3-c]thioxanthene-8,9'-fluorene]-2-ylpyrimidine is sourced from PubChem (CID 160736293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).