N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine

C37H23NOS — CID 169305210

IUPACN-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(Nc3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C37H23NOS/c1-3-11-29-25(9-1)26-19-17-23(38-24-18-20-28-27-10-2-6-14-33(27)39-34(28)22-24)21-32(26)37(29)30-12-4-7-15-35(30)40-36-16-8-5-13-31(36)37/h1-22,38H
InChIKeyLDEIZEATVOMNKH-UHFFFAOYSA-N
MW529.66 g/mol
LogP10.16
Rot. Bonds2

About N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine

N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine (PubChem CID 169305210) has the molecular formula C37H23NOS and a molecular weight of 529.66 g/mol. Its IUPAC name is N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
PubChem CID169305210
Molecular FormulaC37H23NOS
Molecular Weight529.66 g/mol
Exact Mass529.15
IUPAC NameN-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(Nc3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C37H23NOS/c1-3-11-29-25(9-1)26-19-17-23(38-24-18-20-28-27-10-2-6-14-33(27)39-34(28)22-24)21-32(26)37(29)30-12-4-7-15-35(30)40-36-16-8-5-13-31(36)37/h1-22,38H
InChIKeyLDEIZEATVOMNKH-UHFFFAOYSA-N
XLogP10.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.66
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
CID 166960062
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476102
N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine
CID 169305108
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 175441653
N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 166959966
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
CID 129022969
CID 129022969
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
CID 129023259
CID 129023259
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022367

Frequently Asked Questions

What is the IUPAC name of N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine?
The IUPAC name of N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine (CID 169305210) is N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine.
What is the SMILES notation for N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine?
The canonical SMILES for N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(Nc3ccc4c(c3)oc3ccccc34)cc21.
What is the InChIKey of N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine?
The InChIKey is LDEIZEATVOMNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NOS/c1-3-11-29-25(9-1)26-19-17-23(38-24-18-20-28-27-10-2-6-14-33(27)39-34(28)22-24)21-32(26)37(29)30-12-4-7-15-35(30)40-36-16-8-5-13-31(36)37/h1-22,38H.
What are the key properties of N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine?
N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine has a molecular weight of 529.66 g/mol, XLogP of 10.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine is sourced from PubChem (CID 169305210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).