N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine

C43H26FNS2 — CID 164707097

IUPACN-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine
SMILESFc1ccc(-c2cccc3c2sc2cccc(Nc4ccc5c(c4)Sc4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C43H26FNS2/c44-27-21-19-26(20-22-27)29-11-7-12-32-41-37(16-8-18-39(41)47-42(29)32)45-28-23-24-36-40(25-28)46-38-17-6-5-15-35(38)43(36)33-13-3-1-9-30(33)31-10-2-4-14-34(31)43/h1-25,45H
InChIKeyPNYYBRQBZTUSOB-UHFFFAOYSA-N
MW639.82 g/mol
LogP12.43
Rot. Bonds3

About N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine

N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine (PubChem CID 164707097) has the molecular formula C43H26FNS2 and a molecular weight of 639.82 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine
PubChem CID164707097
Molecular FormulaC43H26FNS2
Molecular Weight639.82 g/mol
Exact Mass639.15
IUPAC NameN-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine
SMILESFc1ccc(-c2cccc3c2sc2cccc(Nc4ccc5c(c4)Sc4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C43H26FNS2/c44-27-21-19-26(20-22-27)29-11-7-12-32-41-37(16-8-18-39(41)47-42(29)32)45-28-23-24-36-40(25-28)46-38-17-6-5-15-35(38)43(36)33-13-3-1-9-30(33)31-10-2-4-14-34(31)43/h1-25,45H
InChIKeyPNYYBRQBZTUSOB-UHFFFAOYSA-N
XLogP12.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.82
LogP ≤ 512.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine
CID 162029641
N-(6,7,8,9-tetradeuteriodibenzothiophen-1-yl)spiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 156683727
2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine
CID 166958559
N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine
CID 169305108
N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118910917
N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333073
N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 166959966
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzothiophen-1-amine
CID 172544806
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 158216881
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]dibenzothiophen-1-amine
CID 177114042
4-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-yldibenzothiophene
CID 87946143

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine?
The IUPAC name of N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine (CID 164707097) is N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine.
What is the SMILES notation for N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine?
The canonical SMILES for N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine is Fc1ccc(-c2cccc3c2sc2cccc(Nc4ccc5c(c4)Sc4ccccc4C54c5ccccc5-c5ccccc54)c23)cc1.
What is the InChIKey of N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine?
The InChIKey is PNYYBRQBZTUSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26FNS2/c44-27-21-19-26(20-22-27)29-11-7-12-32-41-37(16-8-18-39(41)47-42(29)32)45-28-23-24-36-40(25-28)46-38-17-6-5-15-35(38)43(36)33-13-3-1-9-30(33)31-10-2-4-14-34(31)43/h1-25,45H.
What are the key properties of N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine?
N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine has a molecular weight of 639.82 g/mol, XLogP of 12.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine is sourced from PubChem (CID 164707097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).