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

C186H111N3OS8 — CID 160729748

IUPACN-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
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3cccc4c3sc3ccccc34)ccc21
InChIInChI=1S/C62H37NOS2.2C62H37NS3/c1-4-19-45-40(16-1)44-36-38(33-35-47(44)61(45)48-21-6-11-28-56(48)65-57-29-12-7-22-49(57)61)63(39-32-34-42-41-17-3-10-27-54(41)64-55(42)37-39)53-26-15-25-52-60(53)43-18-2-5-20-46(43)62(52)50-23-8-13-30-58(50)66-59-31-14-9-24-51(59)62;1-4-21-44-39(17-1)43-37-38(35-36-46(43)61(44)47-23-6-11-31-55(47)64-56-32-12-7-24-48(56)61)63(53-29-15-20-41-40-18-3-10-30-54(40)66-60(41)53)52-28-16-27-51-59(52)42-19-2-5-22-45(42)62(51)49-25-8-13-33-57(49)65-58-34-14-9-26-50(58)62;1-4-19-45-40(16-1)44-36-38(33-35-47(44)61(45)48-21-6-11-28-55(48)65-56-29-12-7-22-49(56)61)63(39-32-34-42-41-17-3-10-27-54(41)64-59(42)37-39)53-26-15-25-52-60(53)43-18-2-5-20-46(43)62(52)50-23-8-13-30-57(50)66-58-31-14-9-24-51(58)62/h3*1-37H
InChIKeyRUEHLWKSPDKDGO-UHFFFAOYSA-N
MW2660.49 g/mol
LogP51.07
Rot. Bonds9

About 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

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 (PubChem CID 160729748) has the molecular formula C186H111N3OS8 and a molecular weight of 2660.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID160729748
Molecular FormulaC186H111N3OS8
Molecular Weight2660.49 g/mol
Exact Mass2657.65
IUPAC NameN-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
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3cccc4c3sc3ccccc34)ccc21
InChIInChI=1S/C62H37NOS2.2C62H37NS3/c1-4-19-45-40(16-1)44-36-38(33-35-47(44)61(45)48-21-6-11-28-56(48)65-57-29-12-7-22-49(57)61)63(39-32-34-42-41-17-3-10-27-54(41)64-55(42)37-39)53-26-15-25-52-60(53)43-18-2-5-20-46(43)62(52)50-23-8-13-30-58(50)66-59-31-14-9-24-51(59)62;1-4-21-44-39(17-1)43-37-38(35-36-46(43)61(44)47-23-6-11-31-55(47)64-56-32-12-7-24-48(56)61)63(53-29-15-20-41-40-18-3-10-30-54(40)66-60(41)53)52-28-16-27-51-59(52)42-19-2-5-22-45(42)62(51)49-25-8-13-33-57(49)65-58-34-14-9-26-50(58)62;1-4-19-45-40(16-1)44-36-38(33-35-47(44)61(45)48-21-6-11-28-55(48)65-56-29-12-7-22-49(56)61)63(39-32-34-42-41-17-3-10-27-54(41)64-59(42)37-39)53-26-15-25-52-60(53)43-18-2-5-20-46(43)62(52)50-23-8-13-30-57(50)66-58-31-14-9-24-51(58)62/h3*1-37H
InChIKeyRUEHLWKSPDKDGO-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-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 with MolForge

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Related Compounds

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
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476718
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine
CID 163958836
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476806
N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477237
N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine
CID 162022790
N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine
CID 166849603
3-N-dibenzothiophen-3-yl-3-N-naphthalen-1-yl-6-N-phenyl-6-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophene-3,6-diamine
CID 167230322
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
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-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 176583218
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3cccc4c3sc3ccccc34)ccc21.
What is the InChIKey of 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?
The InChIKey is RUEHLWKSPDKDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NOS2.2C62H37NS3/c1-4-19-45-40(16-1)44-36-38(33-35-47(44)61(45)48-21-6-11-28-56(48)65-57-29-12-7-22-49(57)61)63(39-32-34-42-41-17-3-10-27-54(41)64-55(42)37-39)53-26-15-25-52-60(53)43-18-2-5-20-46(43)62(52)50-23-8-13-30-58(50)66-59-31-14-9-24-51(59)62;1-4-21-44-39(17-1)43-37-38(35-36-46(43)61(44)47-23-6-11-31-55(47)64-56-32-12-7-24-48(56)61)63(53-29-15-20-41-40-18-3-10-30-54(40)66-60(41)53)52-28-16-27-51-59(52)42-19-2-5-22-45(42)62(51)49-25-8-13-33-57(49)65-58-34-14-9-26-50(58)62;1-4-19-45-40(16-1)44-36-38(33-35-47(44)61(45)48-21-6-11-28-55(48)65-56-29-12-7-22-49(56)61)63(39-32-34-42-41-17-3-10-27-54(41)64-59(42)37-39)53-26-15-25-52-60(53)43-18-2-5-20-46(43)62(52)50-23-8-13-30-57(50)66-58-31-14-9-24-51(58)62/h3*1-37H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 160729748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).