N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine

C186H111N3OS8 — CID 159914253

IUPACN-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)cc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C62H37NOS2.2C62H37NS3/c1-4-18-47-41(15-1)43-32-29-38(35-53(43)61(47)49-20-6-11-25-57(49)65-58-26-12-7-21-50(58)61)63(40-31-34-46-45-17-3-10-24-55(45)64-56(46)37-40)39-30-33-44-42-16-2-5-19-48(42)62(54(44)36-39)51-22-8-13-27-59(51)66-60-28-14-9-23-52(60)62;1-4-20-46-40(16-1)42-34-32-38(36-52(42)61(46)48-22-6-11-28-56(48)64-57-29-12-7-23-49(57)61)63(54-26-15-19-45-44-18-3-10-27-55(44)66-60(45)54)39-33-35-43-41-17-2-5-21-47(41)62(53(43)37-39)50-24-8-13-30-58(50)65-59-31-14-9-25-51(59)62;1-4-18-47-41(15-1)43-32-29-39(36-53(43)61(47)49-20-6-11-25-57(49)65-58-26-12-7-21-50(58)61)63(38-31-34-56-46(35-38)45-17-3-10-24-55(45)64-56)40-30-33-44-42-16-2-5-19-48(42)62(54(44)37-40)51-22-8-13-27-59(51)66-60-28-14-9-23-52(60)62/h3*1-37H
InChIKeyNXOPIJPQFMHIOL-UHFFFAOYSA-N
MW2660.49 g/mol
LogP51.07
Rot. Bonds9

About N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine

N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine (PubChem CID 159914253) has the molecular formula C186H111N3OS8 and a molecular weight of 2660.49 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
PubChem CID159914253
Molecular FormulaC186H111N3OS8
Molecular Weight2660.49 g/mol
Exact Mass2657.65
IUPAC NameN-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)cc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C62H37NOS2.2C62H37NS3/c1-4-18-47-41(15-1)43-32-29-38(35-53(43)61(47)49-20-6-11-25-57(49)65-58-26-12-7-21-50(58)61)63(40-31-34-46-45-17-3-10-24-55(45)64-56(46)37-40)39-30-33-44-42-16-2-5-19-48(42)62(54(44)36-39)51-22-8-13-27-59(51)66-60-28-14-9-23-52(60)62;1-4-20-46-40(16-1)42-34-32-38(36-52(42)61(46)48-22-6-11-28-56(48)64-57-29-12-7-23-49(57)61)63(54-26-15-19-45-44-18-3-10-27-55(44)66-60(45)54)39-33-35-43-41-17-2-5-21-47(41)62(53(43)37-39)50-24-8-13-30-58(50)65-59-31-14-9-25-51(59)62;1-4-18-47-41(15-1)43-32-29-39(36-53(43)61(47)49-20-6-11-25-57(49)65-58-26-12-7-21-50(58)61)63(38-31-34-56-46(35-38)45-17-3-10-24-55(45)64-56)40-30-33-44-42-16-2-5-19-48(42)62(54(44)37-40)51-22-8-13-27-59(51)66-60-28-14-9-23-52(60)62/h3*1-37H
InChIKeyNXOPIJPQFMHIOL-UHFFFAOYSA-N
XLogP51.07
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002660.49
LogP ≤ 551.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine with MolForge

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Related Compounds

N-dibenzothiophen-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-3-amine
CID 160729748
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
CID 166960062
N-dibenzothiophen-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163652161
3-N-dibenzothiophen-2-yl-1-N-naphthalen-1-yl-1-N-phenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 166960069
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine;bis(N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine);N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 161266358
N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine
CID 146540690
N-dibenzothiophen-2-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-2-amine;N-dibenzothiophen-3-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2-amine
CID 164992700
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476718
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine
CID 130463385
N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine
CID 163426378

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine (CID 159914253) is N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)cc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4c3sc3ccccc34)cc21.
What is the InChIKey of N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine?
The InChIKey is NXOPIJPQFMHIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NOS2.2C62H37NS3/c1-4-18-47-41(15-1)43-32-29-38(35-53(43)61(47)49-20-6-11-25-57(49)65-58-26-12-7-21-50(58)61)63(40-31-34-46-45-17-3-10-24-55(45)64-56(46)37-40)39-30-33-44-42-16-2-5-19-48(42)62(54(44)36-39)51-22-8-13-27-59(51)66-60-28-14-9-23-52(60)62;1-4-20-46-40(16-1)42-34-32-38(36-52(42)61(46)48-22-6-11-28-56(48)64-57-29-12-7-23-49(57)61)63(54-26-15-19-45-44-18-3-10-27-55(44)66-60(45)54)39-33-35-43-41-17-2-5-21-47(41)62(53(43)37-39)50-24-8-13-30-58(50)65-59-31-14-9-25-51(59)62;1-4-18-47-41(15-1)43-32-29-39(36-53(43)61(47)49-20-6-11-25-57(49)65-58-26-12-7-21-50(58)61)63(38-31-34-56-46(35-38)45-17-3-10-24-55(45)64-56)40-30-33-44-42-16-2-5-19-48(42)62(54(44)37-40)51-22-8-13-27-59(51)66-60-28-14-9-23-52(60)62/h3*1-37H.
What are the key properties of N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine?
N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine has a molecular weight of 2660.49 g/mol, XLogP of 51.07, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 159914253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).