N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine

C193H114N4O5S4 — CID 158137546

IUPACN-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESC=Cc1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)c3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.[C-]#[N+]c1ccc2c(c1)-c1ccccc1C21c2ccccc2Oc2ccc(N(c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)c3cccc4sc5ccccc5c34)cc21.c1ccc2c(c1)Oc1ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3cccc4oc5c6ccccc6ccc5c34)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C66H39NO3.C64H39NOS2.C63H36N2OS2/c1-2-17-43-40(16-1)32-35-48-63-57(28-15-31-62(63)70-64(43)48)67(41-33-36-60-55(38-41)65(53-26-11-13-29-58(53)68-60)49-22-7-3-18-44(49)45-19-4-8-23-50(45)65)42-34-37-61-56(39-42)66(54-27-12-14-30-59(54)69-61)51-24-9-5-20-46(51)47-21-6-10-25-52(47)66;1-2-39-30-33-52-61(36-39)68-60-35-32-41(38-54(60)64(52)49-23-10-5-18-44(49)45-19-6-11-24-50(45)64)65(55-26-15-28-57-62(55)46-20-7-13-27-56(46)66-57)40-31-34-59-53(37-40)63(51-25-12-14-29-58(51)67-59)47-21-8-3-16-42(47)43-17-4-9-22-48(43)63;1-64-38-29-32-49-45(35-38)43-17-4-8-21-48(43)62(49)50-22-9-11-25-55(50)66-56-33-30-39(36-52(56)62)65(54-24-14-28-60-61(54)44-18-5-12-26-57(44)67-60)40-31-34-59-53(37-40)63(51-23-10-13-27-58(51)68-59)46-19-6-2-15-41(46)42-16-3-7-20-47(42)63/h1-39H;2-38H,1H2;2-37H
InChIKeyFTNMAUNLVLGTQG-UHFFFAOYSA-N
MW2697.33 g/mol
LogP51.87
Rot. Bonds10

About N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine

N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 158137546) has the molecular formula C193H114N4O5S4 and a molecular weight of 2697.33 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID158137546
Molecular FormulaC193H114N4O5S4
Molecular Weight2697.33 g/mol
Exact Mass2694.77
IUPAC NameN-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESC=Cc1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)c3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.[C-]#[N+]c1ccc2c(c1)-c1ccccc1C21c2ccccc2Oc2ccc(N(c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)c3cccc4sc5ccccc5c34)cc21.c1ccc2c(c1)Oc1ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3cccc4oc5c6ccccc6ccc5c34)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C66H39NO3.C64H39NOS2.C63H36N2OS2/c1-2-17-43-40(16-1)32-35-48-63-57(28-15-31-62(63)70-64(43)48)67(41-33-36-60-55(38-41)65(53-26-11-13-29-58(53)68-60)49-22-7-3-18-44(49)45-19-4-8-23-50(45)65)42-34-37-61-56(39-42)66(54-27-12-14-30-59(54)69-61)51-24-9-5-20-46(51)47-21-6-10-25-52(47)66;1-2-39-30-33-52-61(36-39)68-60-35-32-41(38-54(60)64(52)49-23-10-5-18-44(49)45-19-6-11-24-50(45)64)65(55-26-15-28-57-62(55)46-20-7-13-27-56(46)66-57)40-31-34-59-53(37-40)63(51-25-12-14-29-58(51)67-59)47-21-8-3-16-42(47)43-17-4-9-22-48(43)63;1-64-38-29-32-49-45(35-38)43-17-4-8-21-48(43)62(49)50-22-9-11-25-55(50)66-56-33-30-39(36-52(56)62)65(54-24-14-28-60-61(54)44-18-5-12-26-57(44)67-60)40-31-34-59-53(37-40)63(51-23-10-13-27-58(51)68-59)46-19-6-2-15-41(46)42-16-3-7-20-47(42)63/h1-39H;2-38H,1H2;2-37H
InChIKeyFTNMAUNLVLGTQG-UHFFFAOYSA-N
XLogP51.87
TPSA68.05 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002697.33
LogP ≤ 551.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine with MolForge

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Related Compounds

N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476111
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 161249951
N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine
CID 146720375
N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476176
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794936
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 158190990
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 162771327
N,N-diphenyl-1-[4-(N-spiro[fluorene-9,9'-thioxanthene]-3-ylanilino)phenyl]dibenzofuran-3-amine;N-phenyl-N-[2-[3-(N-phenylanilino)phenyl]dibenzothiophen-1-yl]spiro[fluorene-9,9'-xanthene]-2'-amine;N-phenyl-1-[4-(N-phenylanilino)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-2-amine
CID 159486700
9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165005039
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-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine (CID 158137546) is N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine is C=Cc1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)c3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.[C-]#[N+]c1ccc2c(c1)-c1ccccc1C21c2ccccc2Oc2ccc(N(c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4-c4ccccc43)c3cccc4sc5ccccc5c34)cc21.c1ccc2c(c1)Oc1ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3cccc4oc5c6ccccc6ccc5c34)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is FTNMAUNLVLGTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39NO3.C64H39NOS2.C63H36N2OS2/c1-2-17-43-40(16-1)32-35-48-63-57(28-15-31-62(63)70-64(43)48)67(41-33-36-60-55(38-41)65(53-26-11-13-29-58(53)68-60)49-22-7-3-18-44(49)45-19-4-8-23-50(45)65)42-34-37-61-56(39-42)66(54-27-12-14-30-59(54)69-61)51-24-9-5-20-46(51)47-21-6-10-25-52(47)66;1-2-39-30-33-52-61(36-39)68-60-35-32-41(38-54(60)64(52)49-23-10-5-18-44(49)45-19-6-11-24-50(45)64)65(55-26-15-28-57-62(55)46-20-7-13-27-56(46)66-57)40-31-34-59-53(37-40)63(51-25-12-14-29-58(51)67-59)47-21-8-3-16-42(47)43-17-4-9-22-48(43)63;1-64-38-29-32-49-45(35-38)43-17-4-8-21-48(43)62(49)50-22-9-11-25-55(50)66-56-33-30-39(36-52(56)62)65(54-24-14-28-60-61(54)44-18-5-12-26-57(44)67-60)40-31-34-59-53(37-40)63(51-23-10-13-27-58(51)68-59)46-19-6-2-15-41(46)42-16-3-7-20-47(42)63/h1-39H;2-38H,1H2;2-37H.
What are the key properties of N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 2697.33 g/mol, XLogP of 51.87, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-3-isocyano-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-(6'-ethenylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 158137546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).