N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine

C62H37NO2S — CID 138476111

IUPACN-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C62H37NO2S/c1-4-19-45-40(16-1)42-34-32-39(37-52(42)62(45)50-23-8-13-30-58(50)66-59-31-14-9-24-51(59)62)63(53-25-15-29-57-60(53)43-18-3-10-26-54(43)64-57)38-33-35-47-44(36-38)41-17-2-5-20-46(41)61(47)48-21-6-11-27-55(48)65-56-28-12-7-22-49(56)61/h1-37H
InChIKeyQUVSKQYKALVJIZ-UHFFFAOYSA-N
MW860.05 g/mol
LogP16.35
Rot. Bonds3

About N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine

N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 138476111) has the molecular formula C62H37NO2S and a molecular weight of 860.05 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
PubChem CID138476111
Molecular FormulaC62H37NO2S
Molecular Weight860.05 g/mol
Exact Mass859.25
IUPAC NameN-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C62H37NO2S/c1-4-19-45-40(16-1)42-34-32-39(37-52(42)62(45)50-23-8-13-30-58(50)66-59-31-14-9-24-51(59)62)63(53-25-15-29-57-60(53)43-18-3-10-26-54(43)64-57)38-33-35-47-44(36-38)41-17-2-5-20-46(41)61(47)48-21-6-11-27-55(48)65-56-28-12-7-22-49(56)61/h1-37H
InChIKeyQUVSKQYKALVJIZ-UHFFFAOYSA-N
XLogP16.35
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.05
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
N-dibenzofuran-1-yl-N-phenylspiro[thioxanthene-9,9'-xanthene]-2'-amine
CID 146720375
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476743
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477601
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-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476176
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476060
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476806
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine (CID 138476111) is N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3cccc4oc5ccccc5c34)ccc21.
What is the InChIKey of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The InChIKey is QUVSKQYKALVJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NO2S/c1-4-19-45-40(16-1)42-34-32-39(37-52(42)62(45)50-23-8-13-30-58(50)66-59-31-14-9-24-51(59)62)63(53-25-15-29-57-60(53)43-18-3-10-26-54(43)64-57)38-33-35-47-44(36-38)41-17-2-5-20-46(41)61(47)48-21-6-11-27-55(48)65-56-28-12-7-22-49(56)61/h1-37H.
What are the key properties of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine?
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine has a molecular weight of 860.05 g/mol, XLogP of 16.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 138476111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).