N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine

C62H37NOS2 — CID 138476092

IUPACN,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C62H37NOS2/c1-4-18-47-41(15-1)43-32-29-38(35-53(43)61(47)49-20-6-11-25-57(49)65-58-26-12-7-21-50(58)61)63(40-31-34-46-45-17-3-10-24-55(45)64-56(46)37-40)39-30-33-44-42-16-2-5-19-48(42)62(54(44)36-39)51-22-8-13-27-59(51)66-60-28-14-9-23-52(60)62/h1-37H
InChIKeyGJQGBBSDJODNFZ-UHFFFAOYSA-N
MW876.12 g/mol
LogP16.71
Rot. Bonds3

About N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine

N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine (PubChem CID 138476092) has the molecular formula C62H37NOS2 and a molecular weight of 876.12 g/mol. Its IUPAC name is N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
PubChem CID138476092
Molecular FormulaC62H37NOS2
Molecular Weight876.12 g/mol
Exact Mass875.23
IUPAC NameN,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C62H37NOS2/c1-4-18-47-41(15-1)43-32-29-38(35-53(43)61(47)49-20-6-11-25-57(49)65-58-26-12-7-21-50(58)61)63(40-31-34-46-45-17-3-10-24-55(45)64-56(46)37-40)39-30-33-44-42-16-2-5-19-48(42)62(54(44)36-39)51-22-8-13-27-59(51)66-60-28-14-9-23-52(60)62/h1-37H
InChIKeyGJQGBBSDJODNFZ-UHFFFAOYSA-N
XLogP16.71
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.12
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine 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-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476102
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
8-benzhydryl-N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 155484331
N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 164730931
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476743
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 156563659
N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 169305210
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794269
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029

Frequently Asked Questions

What is the IUPAC name of N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine?
The IUPAC name of N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine (CID 138476092) is N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3ccccc34)cc21.
What is the InChIKey of N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine?
The InChIKey is GJQGBBSDJODNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NOS2/c1-4-18-47-41(15-1)43-32-29-38(35-53(43)61(47)49-20-6-11-25-57(49)65-58-26-12-7-21-50(58)61)63(40-31-34-46-45-17-3-10-24-55(45)64-56(46)37-40)39-30-33-44-42-16-2-5-19-48(42)62(54(44)36-39)51-22-8-13-27-59(51)66-60-28-14-9-23-52(60)62/h1-37H.
What are the key properties of N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine?
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine has a molecular weight of 876.12 g/mol, XLogP of 16.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 138476092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).