N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine

C62H37NOS2 — CID 138476718

IUPACN-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C62H37NOS2/c1-4-21-44-39(17-1)40-36-35-38(37-51(40)62(44)48-25-8-13-33-57(48)65-58-34-14-9-26-49(58)62)63(53-29-15-20-42-41-18-3-12-32-56(41)66-60(42)53)52-28-16-27-50-59(52)43-19-2-5-22-45(43)61(50)46-23-6-10-30-54(46)64-55-31-11-7-24-47(55)61/h1-37H
InChIKeyHOPATRWIJVYLMS-UHFFFAOYSA-N
MW876.12 g/mol
LogP16.82
Rot. Bonds3

About N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine

N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 138476718) has the molecular formula C62H37NOS2 and a molecular weight of 876.12 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
PubChem CID138476718
Molecular FormulaC62H37NOS2
Molecular Weight876.12 g/mol
Exact Mass875.23
IUPAC NameN-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C62H37NOS2/c1-4-21-44-39(17-1)40-36-35-38(37-51(40)62(44)48-25-8-13-33-57(48)65-58-34-14-9-26-49(58)62)63(53-29-15-20-42-41-18-3-12-32-56(41)66-60(42)53)52-28-16-27-50-59(52)43-19-2-5-22-45(43)61(50)46-23-6-10-30-54(46)64-55-31-11-7-24-47(55)61/h1-37H
InChIKeyHOPATRWIJVYLMS-UHFFFAOYSA-N
XLogP16.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.12
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477601
N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-thioxanthene]-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 160801103
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]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477907
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
N,N-di(spiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476433
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138475996
N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477237
4-N-dibenzothiophen-1-yl-2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 167177170

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine (CID 138476718) is N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4c3sc3ccccc34)cccc21.
What is the InChIKey of N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine?
The InChIKey is HOPATRWIJVYLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NOS2/c1-4-21-44-39(17-1)40-36-35-38(37-51(40)62(44)48-25-8-13-33-57(48)65-58-34-14-9-26-49(58)62)63(53-29-15-20-42-41-18-3-12-32-56(41)66-60(42)53)52-28-16-27-50-59(52)43-19-2-5-22-45(43)61(50)46-23-6-10-30-54(46)64-55-31-11-7-24-47(55)61/h1-37H.
What are the key properties of N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine?
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 876.12 g/mol, XLogP of 16.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 138476718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).