2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine

C55H36N2OS — CID 166960062

IUPAC2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
SMILESc1ccc(N(c2ccccc2)c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C55H36N2OS/c1-3-17-37(18-4-1)56(38-19-5-2-6-20-38)49-26-12-13-27-50(49)57(40-32-34-44-43-22-8-14-28-51(43)58-52(44)36-40)39-31-33-42-41-21-7-9-23-45(41)55(48(42)35-39)46-24-10-15-29-53(46)59-54-30-16-11-25-47(54)55/h1-36H
InChIKeyZCHFBTNCNRRGOT-UHFFFAOYSA-N
MW772.97 g/mol
LogP15.35
Rot. Bonds6

About 2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine

2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine (PubChem CID 166960062) has the molecular formula C55H36N2OS and a molecular weight of 772.97 g/mol. Its IUPAC name is 2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
PubChem CID166960062
Molecular FormulaC55H36N2OS
Molecular Weight772.97 g/mol
Exact Mass772.25
IUPAC Name2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
SMILESc1ccc(N(c2ccccc2)c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C55H36N2OS/c1-3-17-37(18-4-1)56(38-19-5-2-6-20-38)49-26-12-13-27-50(49)57(40-32-34-44-43-22-8-14-28-51(43)58-52(44)36-40)39-31-33-42-41-21-7-9-23-45(41)55(48(42)35-39)46-24-10-15-29-53(46)59-54-30-16-11-25-47(54)55/h1-36H
InChIKeyZCHFBTNCNRRGOT-UHFFFAOYSA-N
XLogP15.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.97
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 155484331
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-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine
CID 166934109
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
N-[3-phenyl-2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 168788654
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476102
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476111
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293276

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine?
The IUPAC name of 2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine (CID 166960062) is 2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine?
The canonical SMILES for 2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine is c1ccc(N(c2ccccc2)c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine?
The InChIKey is ZCHFBTNCNRRGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2OS/c1-3-17-37(18-4-1)56(38-19-5-2-6-20-38)49-26-12-13-27-50(49)57(40-32-34-44-43-22-8-14-28-51(43)58-52(44)36-40)39-31-33-42-41-21-7-9-23-45(41)55(48(42)35-39)46-24-10-15-29-53(46)59-54-30-16-11-25-47(54)55/h1-36H.
What are the key properties of 2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine?
2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine has a molecular weight of 772.97 g/mol, XLogP of 15.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 166960062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).