9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine

C56H38N2OS — CID 155483400

IUPAC9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine
SMILESCc1cc(N(c2ccccc2)c2ccccc2)cc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)cc3c12
InChIInChI=1S/C56H38N2OS/c1-37-33-43(57(38-17-5-2-6-18-38)39-19-7-3-8-20-39)36-52-55(37)46-35-42(30-32-51(46)59-52)58(40-21-9-4-10-22-40)41-29-31-48-45(34-41)44-23-11-12-24-47(44)56(48)49-25-13-15-27-53(49)60-54-28-16-14-26-50(54)56/h2-36H,1H3
InChIKeyOCFHZBLXUVBORX-UHFFFAOYSA-N
MW787.00 g/mol
LogP15.66
Rot. Bonds6

About 9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine

9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine (PubChem CID 155483400) has the molecular formula C56H38N2OS and a molecular weight of 787.00 g/mol. Its IUPAC name is 9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine.

Molecular Properties

Compound Name9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine
PubChem CID155483400
Molecular FormulaC56H38N2OS
Molecular Weight787.00 g/mol
Exact Mass786.27
IUPAC Name9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine
SMILESCc1cc(N(c2ccccc2)c2ccccc2)cc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)cc3c12
InChIInChI=1S/C56H38N2OS/c1-37-33-43(57(38-17-5-2-6-18-38)39-19-7-3-8-20-39)36-52-55(37)46-35-42(30-32-51(46)59-52)58(40-21-9-4-10-22-40)41-29-31-48-45(34-41)44-23-11-12-24-47(44)56(48)49-25-13-15-27-53(49)60-54-28-16-14-26-50(54)56/h2-36H,1H3
InChIKeyOCFHZBLXUVBORX-UHFFFAOYSA-N
XLogP15.66
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.00
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476081
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476743
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine
CID 155483192
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-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476010
8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 155484331
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-2-amine
CID 166934109
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine
CID 155173021

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine?
The IUPAC name of 9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine (CID 155483400) is 9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine.
What is the SMILES notation for 9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine?
The canonical SMILES for 9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine is Cc1cc(N(c2ccccc2)c2ccccc2)cc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)cc3c12.
What is the InChIKey of 9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine?
The InChIKey is OCFHZBLXUVBORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2OS/c1-37-33-43(57(38-17-5-2-6-18-38)39-19-7-3-8-20-39)36-52-55(37)46-35-42(30-32-51(46)59-52)58(40-21-9-4-10-22-40)41-29-31-48-45(34-41)44-23-11-12-24-47(44)56(48)49-25-13-15-27-53(49)60-54-28-16-14-26-50(54)56/h2-36H,1H3.
What are the key properties of 9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine?
9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine has a molecular weight of 787.00 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine is sourced from PubChem (CID 155483400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).