3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine

C55H35FN2OS — CID 155483192

IUPAC3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine
SMILESFc1cc(N(c2ccccc2)c2ccccc2)c2c(c1)oc1cc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4ccccc43)ccc12
InChIInChI=1S/C55H35FN2OS/c56-36-32-49(58(38-18-6-2-7-19-38)39-20-8-3-9-21-39)54-44-30-28-40(34-50(44)59-51(54)33-36)57(37-16-4-1-5-17-37)41-29-31-48-53(35-41)60-52-27-15-14-26-47(52)55(48)45-24-12-10-22-42(45)43-23-11-13-25-46(43)55/h1-35H
InChIKeyUDBATWBZJOZXQJ-UHFFFAOYSA-N
MW790.96 g/mol
LogP15.49
Rot. Bonds6

About 3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine

3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine (PubChem CID 155483192) has the molecular formula C55H35FN2OS and a molecular weight of 790.96 g/mol. Its IUPAC name is 3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine.

Molecular Properties

Compound Name3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine
PubChem CID155483192
Molecular FormulaC55H35FN2OS
Molecular Weight790.96 g/mol
Exact Mass790.25
IUPAC Name3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine
SMILESFc1cc(N(c2ccccc2)c2ccccc2)c2c(c1)oc1cc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4ccccc43)ccc12
InChIInChI=1S/C55H35FN2OS/c56-36-32-49(58(38-18-6-2-7-19-38)39-20-8-3-9-21-39)54-44-30-28-40(34-50(44)59-51(54)33-36)57(37-16-4-1-5-17-37)41-29-31-48-53(35-41)60-52-27-15-14-26-47(52)55(48)45-24-12-10-22-42(45)43-23-11-13-25-46(43)55/h1-35H
InChIKeyUDBATWBZJOZXQJ-UHFFFAOYSA-N
XLogP15.49
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.96
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
CID 166960062
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476081
9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine
CID 155483400
8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 155484331
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine
CID 155483185
1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine
CID 155484219
3-N'-dibenzofuran-3-yl-3-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775076
5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775418
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine
CID 166960071

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine?
The IUPAC name of 3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine (CID 155483192) is 3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine.
What is the SMILES notation for 3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine?
The canonical SMILES for 3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine is Fc1cc(N(c2ccccc2)c2ccccc2)c2c(c1)oc1cc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4ccccc43)ccc12.
What is the InChIKey of 3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine?
The InChIKey is UDBATWBZJOZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35FN2OS/c56-36-32-49(58(38-18-6-2-7-19-38)39-20-8-3-9-21-39)54-44-30-28-40(34-50(44)59-51(54)33-36)57(37-16-4-1-5-17-37)41-29-31-48-53(35-41)60-52-27-15-14-26-47(52)55(48)45-24-12-10-22-42(45)43-23-11-13-25-46(43)55/h1-35H.
What are the key properties of 3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine?
3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine has a molecular weight of 790.96 g/mol, XLogP of 15.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine is sourced from PubChem (CID 155483192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).