2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene]

C157H97N11S3 — CID 158358946

IUPAC2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6cccc7c6sc6ccccc67)cc54)c4ccccc43)n2)cc1
InChIInChI=1S/C53H33N3S.2C52H32N4S/c1-3-15-34(16-4-1)46-33-47(35-17-5-2-6-18-35)55-52(54-46)56-48-24-12-10-22-43(48)53(44-23-11-13-25-49(44)56)42-21-9-7-19-38(42)39-29-27-37(32-45(39)53)36-28-30-51-41(31-36)40-20-8-14-26-50(40)57-51;1-3-16-33(17-4-1)49-53-50(34-18-5-2-6-19-34)55-51(54-49)56-45-27-12-10-25-42(45)52(43-26-11-13-28-46(43)56)41-24-9-7-20-37(41)38-31-30-35(32-44(38)52)36-22-15-23-40-39-21-8-14-29-47(39)57-48(36)40;1-3-15-33(16-4-1)49-53-50(34-17-5-2-6-18-34)55-51(54-49)56-45-24-12-10-22-42(45)52(43-23-11-13-25-46(43)56)41-21-9-7-19-37(41)38-29-27-35(31-44(38)52)36-28-30-40-39-20-8-14-26-47(39)57-48(40)32-36/h1-33H;2*1-32H
InChIKeyGTFQSPXEEFQPMM-UHFFFAOYSA-N
MW2233.78 g/mol
LogP40.77
Rot. Bonds12

About 2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene]

2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene] (PubChem CID 158358946) has the molecular formula C157H97N11S3 and a molecular weight of 2233.78 g/mol. Its IUPAC name is 2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene]
PubChem CID158358946
Molecular FormulaC157H97N11S3
Molecular Weight2233.78 g/mol
Exact Mass2231.71
IUPAC Name2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6cccc7c6sc6ccccc67)cc54)c4ccccc43)n2)cc1
InChIInChI=1S/C53H33N3S.2C52H32N4S/c1-3-15-34(16-4-1)46-33-47(35-17-5-2-6-18-35)55-52(54-46)56-48-24-12-10-22-43(48)53(44-23-11-13-25-49(44)56)42-21-9-7-19-38(42)39-29-27-37(32-45(39)53)36-28-30-51-41(31-36)40-20-8-14-26-50(40)57-51;1-3-16-33(17-4-1)49-53-50(34-18-5-2-6-19-34)55-51(54-49)56-45-27-12-10-25-42(45)52(43-26-11-13-28-46(43)56)41-24-9-7-20-37(41)38-31-30-35(32-44(38)52)36-22-15-23-40-39-21-8-14-29-47(39)57-48(36)40;1-3-15-33(16-4-1)49-53-50(34-17-5-2-6-18-34)55-51(54-49)56-45-24-12-10-22-42(45)52(43-23-11-13-25-46(43)56)41-21-9-7-19-37(41)38-29-27-35(31-44(38)52)36-28-30-40-39-20-8-14-26-47(39)57-48(40)32-36/h1-33H;2*1-32H
InChIKeyGTFQSPXEEFQPMM-UHFFFAOYSA-N
XLogP40.77
TPSA112.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002233.78
LogP ≤ 540.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene] with MolForge

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Related Compounds

2'-dibenzothiophen-2-yl-10-(4,6-diphenyl-2-pyridinyl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-2-pyridinyl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene]
CID 161180061
4-[4-[8-[8-[3-dibenzothiophen-2-yl-5-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]dibenzothiophen-4-yl]phenyl]-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine
CID 137465889
2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 161322655
4-dibenzothiophen-4-yl-6-phenyl-2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 130452664
2-dibenzothiophen-2-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 158295302
2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191
2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]pyrimidine
CID 153284100
2-dibenzothiophen-1-yl-4-phenyl-6-[2-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[2-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-phenyl-6-[2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 162165109
2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-1-yl-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 158617949
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 157448144
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166024839
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603171

Frequently Asked Questions

What is the IUPAC name of 2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene]?
The IUPAC name of 2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene] (CID 158358946) is 2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene] is c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6cccc7c6sc6ccccc67)cc54)c4ccccc43)n2)cc1.
What is the InChIKey of 2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene]?
The InChIKey is GTFQSPXEEFQPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S.2C52H32N4S/c1-3-15-34(16-4-1)46-33-47(35-17-5-2-6-18-35)55-52(54-46)56-48-24-12-10-22-43(48)53(44-23-11-13-25-49(44)56)42-21-9-7-19-38(42)39-29-27-37(32-45(39)53)36-28-30-51-41(31-36)40-20-8-14-26-50(40)57-51;1-3-16-33(17-4-1)49-53-50(34-18-5-2-6-19-34)55-51(54-49)56-45-27-12-10-25-42(45)52(43-26-11-13-28-46(43)56)41-24-9-7-20-37(41)38-31-30-35(32-44(38)52)36-22-15-23-40-39-21-8-14-29-47(39)57-48(36)40;1-3-15-33(16-4-1)49-53-50(34-17-5-2-6-18-34)55-51(54-49)56-45-24-12-10-22-42(45)52(43-23-11-13-25-46(43)56)41-21-9-7-19-37(41)38-29-27-35(31-44(38)52)36-28-30-40-39-20-8-14-26-47(39)57-48(40)32-36/h1-33H;2*1-32H.
What are the key properties of 2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene]?
2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene] has a molecular weight of 2233.78 g/mol, XLogP of 40.77, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-dibenzothiophen-2-yl-10-(4,6-diphenylpyrimidin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-3-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene];2'-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 158358946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).