N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

C62H39NS3 — CID 146658905

IUPACN-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESC1=Cc2c(sc3c(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)cccc23)CC1
InChIInChI=1S/C62H39NS3/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(53-29-15-20-42-41-18-3-10-30-54(41)66-60(42)53)52-28-16-27-50-59(52)43-19-2-5-22-45(43)61(50)46-23-6-11-31-55(46)64-56-32-12-7-24-47(56)61/h1-9,11-29,31-37H,10,30H2
InChIKeyYHNVPJIZSZAOOD-UHFFFAOYSA-N
MW894.20 g/mol
LogP16.99
Rot. Bonds3

About N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (PubChem CID 146658905) has the molecular formula C62H39NS3 and a molecular weight of 894.20 g/mol. Its IUPAC name is N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
PubChem CID146658905
Molecular FormulaC62H39NS3
Molecular Weight894.20 g/mol
Exact Mass893.22
IUPAC NameN-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESC1=Cc2c(sc3c(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)cccc23)CC1
InChIInChI=1S/C62H39NS3/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(53-29-15-20-42-41-18-3-10-30-54(41)66-60(42)53)52-28-16-27-50-59(52)43-19-2-5-22-45(43)61(50)46-23-6-11-31-55(46)64-56-32-12-7-24-47(56)61/h1-9,11-29,31-37H,10,30H2
InChIKeyYHNVPJIZSZAOOD-UHFFFAOYSA-N
XLogP16.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.20
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477907
N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 167095079
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477289
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476718
N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476709
N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309031
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477601
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881
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-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476470
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[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

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The IUPAC name of N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (CID 146658905) is N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.
What is the SMILES notation for N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The canonical SMILES for N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is C1=Cc2c(sc3c(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)cccc23)CC1.
What is the InChIKey of N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The InChIKey is YHNVPJIZSZAOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NS3/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(53-29-15-20-42-41-18-3-10-30-54(41)66-60(42)53)52-28-16-27-50-59(52)43-19-2-5-22-45(43)61(50)46-23-6-11-31-55(46)64-56-32-12-7-24-47(56)61/h1-9,11-29,31-37H,10,30H2.
What are the key properties of N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine has a molecular weight of 894.20 g/mol, XLogP of 16.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydrodibenzothiophen-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is sourced from PubChem (CID 146658905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).