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]

C161H101N7S3 — CID 161180061

IUPAC2'-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]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6cccc7c6sc6ccccc67)cc54)c4ccccc43)n2)cc1
InChIInChI=1S/2C54H34N2S.C53H33N3S/c1-3-15-35(16-4-1)39-33-48(36-17-5-2-6-18-36)55-53(34-39)56-49-24-12-10-22-45(49)54(46-23-11-13-25-50(46)56)44-21-9-7-19-40(44)41-29-27-38(32-47(41)54)37-28-30-52-43(31-37)42-20-8-14-26-51(42)57-52;1-3-15-35(16-4-1)39-32-48(36-17-5-2-6-18-36)55-53(34-39)56-49-24-12-10-22-45(49)54(46-23-11-13-25-50(46)56)44-21-9-7-19-40(44)41-29-27-37(31-47(41)54)38-28-30-43-42-20-8-14-26-51(42)57-52(43)33-38;1-3-16-34(17-4-1)46-33-47(35-18-5-2-6-19-35)55-52(54-46)56-48-27-12-10-25-43(48)53(44-26-11-13-28-49(44)56)42-24-9-7-20-38(42)39-31-30-36(32-45(39)53)37-22-15-23-41-40-21-8-14-29-50(40)57-51(37)41/h2*1-34H;1-33H
InChIKeyUSIFRYBKAWSDNP-UHFFFAOYSA-N
MW2229.83 g/mol
LogP43.19
Rot. Bonds12

About 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]

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] (PubChem CID 161180061) has the molecular formula C161H101N7S3 and a molecular weight of 2229.83 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name2'-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]
PubChem CID161180061
Molecular FormulaC161H101N7S3
Molecular Weight2229.83 g/mol
Exact Mass2227.73
IUPAC Name2'-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]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6cccc7c6sc6ccccc67)cc54)c4ccccc43)n2)cc1
InChIInChI=1S/2C54H34N2S.C53H33N3S/c1-3-15-35(16-4-1)39-33-48(36-17-5-2-6-18-36)55-53(34-39)56-49-24-12-10-22-45(49)54(46-23-11-13-25-50(46)56)44-21-9-7-19-40(44)41-29-27-38(32-47(41)54)37-28-30-52-43(31-37)42-20-8-14-26-51(42)57-52;1-3-15-35(16-4-1)39-32-48(36-17-5-2-6-18-36)55-53(34-39)56-49-24-12-10-22-45(49)54(46-23-11-13-25-50(46)56)44-21-9-7-19-40(44)41-29-27-37(31-47(41)54)38-28-30-43-42-20-8-14-26-51(42)57-52(43)33-38;1-3-16-34(17-4-1)46-33-47(35-18-5-2-6-19-35)55-52(54-46)56-48-27-12-10-25-43(48)53(44-26-11-13-28-49(44)56)42-24-9-7-20-38(42)39-31-30-36(32-45(39)53)37-22-15-23-41-40-21-8-14-29-50(40)57-51(37)41/h2*1-34H;1-33H
InChIKeyUSIFRYBKAWSDNP-UHFFFAOYSA-N
XLogP43.19
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002229.83
LogP ≤ 543.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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] with MolForge

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Related Compounds

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
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
4-dibenzothiophen-4-yl-6-phenyl-2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 130452664
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-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-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
2-dibenzothiophen-2-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171583300
10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]
CID 118465119
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
2,4-bis(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine
CID 159098528
10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 118231882
4-(3-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-ylphenyl)dibenzothiophene
CID 122413304

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6cccc7c6sc6ccccc67)cc54)c4ccccc43)n2)cc1.
What is the InChIKey of 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]?
The InChIKey is USIFRYBKAWSDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H34N2S.C53H33N3S/c1-3-15-35(16-4-1)39-33-48(36-17-5-2-6-18-36)55-53(34-39)56-49-24-12-10-22-45(49)54(46-23-11-13-25-50(46)56)44-21-9-7-19-40(44)41-29-27-38(32-47(41)54)37-28-30-52-43(31-37)42-20-8-14-26-51(42)57-52;1-3-15-35(16-4-1)39-32-48(36-17-5-2-6-18-36)55-53(34-39)56-49-24-12-10-22-45(49)54(46-23-11-13-25-50(46)56)44-21-9-7-19-40(44)41-29-27-37(31-47(41)54)38-28-30-43-42-20-8-14-26-51(42)57-52(43)33-38;1-3-16-34(17-4-1)46-33-47(35-18-5-2-6-19-35)55-52(54-46)56-48-27-12-10-25-43(48)53(44-26-11-13-28-49(44)56)42-24-9-7-20-38(42)39-31-30-36(32-45(39)53)37-22-15-23-41-40-21-8-14-29-50(40)57-51(37)41/h2*1-34H;1-33H.
What are the key properties of 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]?
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] has a molecular weight of 2229.83 g/mol, XLogP of 43.19, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 161180061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).